(S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole

Catalog Number	ACM944836220
CAS	944836-22-0
Structure
Synonyms	(4S)-2-[2-[Bis[4-(Trifluoromethyl)Phenyl]Phosphino]-5-(Trifluoromethyl)Phenyl]-4-Tert-Butyl-2-Oxazoline; [2-[(4S)-4-Tert-Butyl-4,5-Dihydro-1,3-Oxazol-2-Yl]-4-(Trifluoromethyl)Phenyl]-Bis[4-(Trifluoromethyl)Phenyl]Phosphane
IUPAC Name	[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane
Molecular Weight	591.45
Molecular Formula	C28H23F9NOP
InChI	FIQFFQBQQIDYQG-HSZRJFAPSA-N
InChI Key	InChI=1S/C28H23F9NOP/c1-25(2,3)23-15-39-24(38-23)21-14-18(28(35,36)37)8-13-22(21)40(19-9-4-16(5-10-19)26(29,30)31)20-11-6-17(7-12-20)27(32,33)34/h4-14,23H,15H2,1-3H3/t23-/m1/s1
Boiling Point	514.4±50.0 °C(Predicted)
Purity	97%
Isomeric SMILES	CC(C)(C)[C@H]1COC(=N1)C2=C(C=CC(=C2)C(F)(F)F)P(C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F
pKa	3.75±0.70(Predicted)

Q&A

What is the IUPAC name of (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole?

The IUPAC name of (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole is [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane.

What is the exact mass of (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole?

The exact mass of (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole is 591.13735481.

How many hydrogen bond acceptors does (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole have?

The compound has 11 hydrogen bond acceptors.

What is the molecular formula of (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole?

The molecular formula of (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole is C28H23F9NOP.

How many heavy atoms are present in (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole?

The compound contains 40 heavy atoms.

What is the Canonical SMILES representation of (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole?

The Canonical SMILES representation of (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole is CC(C)(C)C1COC(=N1)C2=C(C=CC(=C2)C(F)(F)F)P(C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F.

What is the XLogP3 value of (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole?

The XLogP3 value of (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole is 8.6.

What is the Monoisotopic Mass of (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole?

The Monoisotopic Mass of (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole is 591.13735481.

How many rotatable bonds are present in (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole?

The compound has 5 rotatable bonds.

What is the Depositor-Supplied Synonym of (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole?

The Depositor-Supplied Synonym of (S)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole is 944836-22-0.