4,4,4-trifluorobutane-1-sulfonamide

C4H8F3NO2S — CID 22725686

IUPAC4,4,4-trifluorobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c5-4(6,7)2-1-3-11(8,9)10/h1-3H2,(H2,8,9,10)
InChIKeyZIAVJFAEJPKNJB-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.62
Rot. Bonds3

About 4,4,4-trifluorobutane-1-sulfonamide

4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 22725686) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is 4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluorobutane-1-sulfonamide
PubChem CID22725686
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC Name4,4,4-trifluorobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c5-4(6,7)2-1-3-11(8,9)10/h1-3H2,(H2,8,9,10)
InChIKeyZIAVJFAEJPKNJB-UHFFFAOYSA-N
XLogP0.62
TPSA60.16 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 ≤ 50.62
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
CID 45278078
CID 45278078
2,2-Difluoroethane-1-sulfonamide
CID 50989787
3-Fluoro-1-propanesulfonamide
CID 53404000
4-Fluorobutane-1-sulfonamide
CID 53964049
5-Fluoropentane-1-sulfonamide
CID 90989561
3,3-Difluorocyclobutane-1-sulfonamide
CID 126756816
Fluorobutane sulfonamide
CID 87704648
poly(difluoromethylene), alpha-fluoro-omega-(2-sulfoethyl)-, ammonium salt
CID 157412
1,1,1-Trifluoropropane-2-sulfonamide
CID 71758664
3,3-Difluorobutane-1-sulfonamide
CID 130657266

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluorobutane-1-sulfonamide (CID 22725686) is 4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluorobutane-1-sulfonamide is NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is ZIAVJFAEJPKNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c5-4(6,7)2-1-3-11(8,9)10/h1-3H2,(H2,8,9,10).
What are the key properties of 4,4,4-trifluorobutane-1-sulfonamide?
4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 191.17 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 22725686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).