(R)-(+)-1-[(R)-2-(2'-Dicyclohexylphosphinophenyl)ferrocenyl]ethyldi(bis-3, 5-trifluoromethylphenyl) phosphine

Catalog Number	ACM494227326-1
CAS	494227-32-6
Structure
Synonyms	(R)-1-{(RP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine
Molecular Weight	942.62
Molecular Formula	C46H44F12FeP2
InChI	XSNPQORPLUHYID-KHZPMNTOSA-N
InChI Key	InChI=1S/C41H39F12P2.C5H5.Fe/c1-25(34-16-10-17-35(34)36-15-8-9-18-37(36)55(30-11-4-2-5-12-30)31-13-6-3-7-14-31)54(32-21-26(38(42,43)44)19-27(22-32)39(45,46)47)33-23-28(40(48,49)50)20-29(24-33)41(51,52)53;1-2-4-5-3-1;/h8-10,15-25,30-31H,2-7,11-14H2,1H3;1-5H;/t25-;;/m1../s1
Purity	98%
Appearance	Solid
Isomeric SMILES	C[C@H]([C]1[CH][CH][CH][C]1C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)P(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe]

Q&A

What is the molecular formula of (R)-(+)-1-[(R)-2-(2'-Dicyclohexylphosphinophenyl)ferrocenyl]ethyldi(bis-3,5-trifluoromethylphenyl)phosphine?

The molecular formula is C46H44F12FeP2.

What is the molecular weight of (R)-(+)-1-[(R)-2-(2'-Dicyclohexylphosphinophenyl)ferrocenyl]ethyldi(bis-3,5-trifluoromethylphenyl)phosphine?

The molecular weight is 942.6g/mol.

What is the exact mass of (R)-(+)-1-[(R)-2-(2'-Dicyclohexylphosphinophenyl)ferrocenyl]ethyldi(bis-3,5-trifluoromethylphenyl)phosphine?

The exact mass is 942.207599.

How many heavy atoms are present in (R)-(+)-1-[(R)-2-(2'-Dicyclohexylphosphinophenyl)ferrocenyl]ethyldi(bis-3,5-trifluoromethylphenyl)phosphine?

There are 61 heavy atoms in the compound.

What is the Canonical SMILES representation of the compound?

CC([C]1[CH][CH][CH][C]1C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)P(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F.[CH]1[...

How many covalently-bonded units are present in (R)-(+)-1-[(R)-2-(2'-Dicyclohexylphosphinophenyl)ferrocenyl]ethyldi(bis-3,5-trifluoromethylphenyl)phosphine?

There are 3 covalently-bonded units.

What is the InChIKey of the compound?

The InChIKey is XSNPQORPLUHYID-KHZPMNTOSA-N.

What is the name by which (R)-(+)-1-[(R)-2-(2'-Dicyclohexylphosphinophenyl)ferrocenyl]ethyldi(bis-3,5-trifluoromethylphenyl)phosphine is also known?

The compound is also known as Walphos SL-W008-1.

What is the Isomeric SMILES representation of the compound?

C[C@H]([C]1[CH][CH][CH][C]1C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)P(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F.[CH]1[C...

How many rotatable bonds are present in (R)-(+)-1-[(R)-2-(2'-Dicyclohexylphosphinophenyl)ferrocenyl]ethyldi(bis-3,5-trifluoromethylphenyl)phosphine?

There are 8 rotatable bonds in the compound.