2,2,3,3-tetrafluoropropane-1-sulfonamide

C3H5F4NO2S — CID 19370936

IUPAC2,2,3,3-tetrafluoropropane-1-sulfonamide
SMILESNS(=O)(=O)CC(F)(F)C(F)F
InChIInChI=1S/C3H5F4NO2S/c4-2(5)3(6,7)1-11(8,9)10/h2H,1H2,(H2,8,9,10)
InChIKeyRDQSYYXUOCDFBG-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.18
Rot. Bonds3

About 2,2,3,3-tetrafluoropropane-1-sulfonamide

2,2,3,3-tetrafluoropropane-1-sulfonamide (PubChem CID 19370936) has the molecular formula C3H5F4NO2S and a molecular weight of 195.14 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropane-1-sulfonamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropane-1-sulfonamide
PubChem CID19370936
Molecular FormulaC3H5F4NO2S
Molecular Weight195.14 g/mol
Exact Mass195.00
IUPAC Name2,2,3,3-tetrafluoropropane-1-sulfonamide
SMILESNS(=O)(=O)CC(F)(F)C(F)F
InChIInChI=1S/C3H5F4NO2S/c4-2(5)3(6,7)1-11(8,9)10/h2H,1H2,(H2,8,9,10)
InChIKeyRDQSYYXUOCDFBG-UHFFFAOYSA-N
XLogP0.18
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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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
4,4,4-Trifluorobutane-1-sulfonamide
CID 22725686
2,2-Difluoroethane-1-sulfonamide
CID 50989787
3-Fluoro-1-propanesulfonamide
CID 53404000
3,3-Difluorocyclobutane-1-sulfonamide
CID 126756816
1,2,2,2-Tetrafluoroethane-1-sulfonamide
CID 87668762
1,1,1-Trifluoropropane-2-sulfonamide
CID 71758664
3,3-Difluorobutane-1-sulfonamide
CID 130657266
4,4,5,5,5-Pentafluoropentane-1-sulfonamide
CID 165882294
3,3,3-Trifluoro-2-(trifluoromethyl)propane-1-sulfonamide
CID 103311336

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropane-1-sulfonamide?
The IUPAC name of 2,2,3,3-tetrafluoropropane-1-sulfonamide (CID 19370936) is 2,2,3,3-tetrafluoropropane-1-sulfonamide.
What is the SMILES notation for 2,2,3,3-tetrafluoropropane-1-sulfonamide?
The canonical SMILES for 2,2,3,3-tetrafluoropropane-1-sulfonamide is NS(=O)(=O)CC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropane-1-sulfonamide?
The InChIKey is RDQSYYXUOCDFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4NO2S/c4-2(5)3(6,7)1-11(8,9)10/h2H,1H2,(H2,8,9,10).
What are the key properties of 2,2,3,3-tetrafluoropropane-1-sulfonamide?
2,2,3,3-tetrafluoropropane-1-sulfonamide has a molecular weight of 195.14 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropane-1-sulfonamide is sourced from PubChem (CID 19370936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).