1,1,1-trifluoropropane-2-sulfonamide

C3H6F3NO2S — CID 71758664

IUPAC1,1,1-trifluoropropane-2-sulfonamide
SMILESCC(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C3H6F3NO2S/c1-2(3(4,5)6)10(7,8)9/h2H,1H3,(H2,7,8,9)
InChIKeyFAPBNZGKHKTHQD-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.23
Rot. Bonds1

About 1,1,1-trifluoropropane-2-sulfonamide

1,1,1-trifluoropropane-2-sulfonamide (PubChem CID 71758664) has the molecular formula C3H6F3NO2S and a molecular weight of 177.15 g/mol. Its IUPAC name is 1,1,1-trifluoropropane-2-sulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoropropane-2-sulfonamide
PubChem CID71758664
Molecular FormulaC3H6F3NO2S
Molecular Weight177.15 g/mol
Exact Mass177.01
IUPAC Name1,1,1-trifluoropropane-2-sulfonamide
SMILESCC(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C3H6F3NO2S/c1-2(3(4,5)6)10(7,8)9/h2H,1H3,(H2,7,8,9)
InChIKeyFAPBNZGKHKTHQD-UHFFFAOYSA-N
XLogP0.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoroethane-1-sulfonamide
CID 21265546
3,3,3-Trifluoropropane-1-sulfonamide
CID 45790444
4,4,4-Trifluorobutane-1-sulfonamide
CID 22725686
2,2-Difluoroethane-1-sulfonamide
CID 50989787
3-Fluoro-1-propanesulfonamide
CID 53404000
1,1-Difluoroethane-1-sulfonamide
CID 57536606
1,1,1-Trifluoropropane-2-sulfonyl chloride
CID 73994686
2,2-Difluoropropane-1-sulfonyl chloride
CID 84656710
3,3-Difluorocyclobutane-1-sulfonamide
CID 126756816
1,2,2,2-Tetrafluoroethane-1-sulfonamide
CID 87668762
Fluorobutane sulfonamide
CID 87704648
1,1-Difluoropropane-2-sulfonyl chloride
CID 122163554

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropane-2-sulfonamide?
The IUPAC name of 1,1,1-trifluoropropane-2-sulfonamide (CID 71758664) is 1,1,1-trifluoropropane-2-sulfonamide.
What is the SMILES notation for 1,1,1-trifluoropropane-2-sulfonamide?
The canonical SMILES for 1,1,1-trifluoropropane-2-sulfonamide is CC(C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 1,1,1-trifluoropropane-2-sulfonamide?
The InChIKey is FAPBNZGKHKTHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO2S/c1-2(3(4,5)6)10(7,8)9/h2H,1H3,(H2,7,8,9).
What are the key properties of 1,1,1-trifluoropropane-2-sulfonamide?
1,1,1-trifluoropropane-2-sulfonamide has a molecular weight of 177.15 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropane-2-sulfonamide is sourced from PubChem (CID 71758664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).