N-(3,3,3-trifluoropropyl)methanesulfonamide

C4H8F3NO2S — CID 64586125

IUPACN-(3,3,3-trifluoropropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-11(9,10)8-3-2-4(5,6)7/h8H,2-3H2,1H3
InChIKeyOKYZJTYVQSKHTH-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.49
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)methanesulfonamide

N-(3,3,3-trifluoropropyl)methanesulfonamide (PubChem CID 64586125) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)methanesulfonamide
PubChem CID64586125
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC NameN-(3,3,3-trifluoropropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-11(9,10)8-3-2-4(5,6)7/h8H,2-3H2,1H3
InChIKeyOKYZJTYVQSKHTH-UHFFFAOYSA-N
XLogP0.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)methanesulfonamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)methanesulfonamide (CID 64586125) is N-(3,3,3-trifluoropropyl)methanesulfonamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)methanesulfonamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)methanesulfonamide is CS(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoropropyl)methanesulfonamide?
The InChIKey is OKYZJTYVQSKHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c1-11(9,10)8-3-2-4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of N-(3,3,3-trifluoropropyl)methanesulfonamide?
N-(3,3,3-trifluoropropyl)methanesulfonamide has a molecular weight of 191.17 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)methanesulfonamide is sourced from PubChem (CID 64586125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).