Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate

Catalog Number	ACM1009647840
CAS	1009647-84-0
Synonyms	N-(Diphenoxyphosphinyl)trifluoromethanesulfonamide
IUPAC Name	N-diphenoxyphosphoryl-1,1,1-trifluoromethanesulfonamide
Molecular Weight	381.26
Molecular Formula	C13H11F3NO5PS
InChI	GTRQXZJVYZSIKU-UHFFFAOYSA-N
InChI Key	InChI=1S/C13H11F3NO5PS/c14-13(15,16)24(19,20)17-23(18,21-11-7-3-1-4-8-11)22-12-9-5-2-6-10-12/h1-10H,(H,17,18)
Boiling Point	408.7±55.0 °C(Predicted)
Melting Point	67 °C
Purity	95%
Density	1.511±0.06 g/cm3(Predicted)
Isomeric SMILES	C1=CC=C(C=C1)OP(=O)(NS(=O)(=O)C(F)(F)F)OC2=CC=CC=C2
pKa	-4.71±0.40(Predicted)

Q&A

What is the chemical structure of Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate?

The chemical structure of Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate can be seen in the provided 2D and 3D structures.

What is the Canonical SMILES notation for Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate?

The Canonical SMILES notation for Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate is C1=CC=C(C=C1)OP(=O)(NS(=O)(=O)C(F)(F)F)OC2=CC=CC=C2.

How many covalently-bonded units are present in Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate?

There is 1 covalently-bonded unit present in Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate.

What is the molecular weight of Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate?

The molecular weight of Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate is 381.27 g/mol.

How many hydrogen bond acceptors are there in Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate?

There are 9 hydrogen bond acceptors in Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate.

What is the IUPAC name of Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate?

The IUPAC name of Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate is N-diphenoxyphosphoryl-1,1,1-trifluoromethanesulfonamide.

What is the InChI key for Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate?

The InChI key for Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate is GTRQXZJVYZSIKU-UHFFFAOYSA-N.

How many rotatable bonds are present in Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate?

There are 6 rotatable bonds present in Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate.

What is the topological polar surface area of Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate?

The topological polar surface area of Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate is 90.1.

What is the exact mass of Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate?

The exact mass of Diphenyl ((trifluoromethyl)sulfonyl)phosphoramidate is 381.00476511.