N-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide

C4H6F5NO2S — CID 165000566

IUPACN-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(F)(F)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H6F5NO2S/c1-3(5,6)2-10-13(11,12)4(7,8)9/h10H,2H2,1H3
InChIKeyPAAQDIRQMZOSNW-UHFFFAOYSA-N
MW227.15 g/mol
LogP1.08
Rot. Bonds3

About N-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide

N-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 165000566) has the molecular formula C4H6F5NO2S and a molecular weight of 227.15 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID165000566
Molecular FormulaC4H6F5NO2S
Molecular Weight227.15 g/mol
Exact Mass227.00
IUPAC NameN-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(F)(F)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H6F5NO2S/c1-3(5,6)2-10-13(11,12)4(7,8)9/h10H,2H2,1H3
InChIKeyPAAQDIRQMZOSNW-UHFFFAOYSA-N
XLogP1.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.15
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl perfluorobutanesulfonamide
CID 14661392
N-Ethyl perfluoropentane sulfonamide
CID 19931110
N-Ethyl-1,1,1-trifluoromethanesulfonamide
CID 11229101
N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
CID 58427695
N-Ethylperfluoroethanesulfonamide
CID 44717412
N-ethyl perfluoropropane sulfonamide
CID 129294817
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
N-(2,2-difluoropropyl)methanesulfonamide
CID 18686371
1,1,1-Trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 20485412
Propylazanium;trifluoromethanesulfonate
CID 21654999

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide (CID 165000566) is N-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide is CC(F)(F)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is PAAQDIRQMZOSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F5NO2S/c1-3(5,6)2-10-13(11,12)4(7,8)9/h10H,2H2,1H3.
What are the key properties of N-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide?
N-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 227.15 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 165000566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).