2,2,2-trifluoroethanesulfonamide

C2H4F3NO2S — CID 21265546

IUPAC2,2,2-trifluoroethanesulfonamide
SMILESNS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C2H4F3NO2S/c3-2(4,5)1-9(6,7)8/h1H2,(H2,6,7,8)
InChIKeyJATIGRDCWBXQRA-UHFFFAOYSA-N
MW163.12 g/mol
LogP-0.16
Rot. Bonds1

About 2,2,2-trifluoroethanesulfonamide

2,2,2-trifluoroethanesulfonamide (PubChem CID 21265546) has the molecular formula C2H4F3NO2S and a molecular weight of 163.12 g/mol. Its IUPAC name is 2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoroethanesulfonamide
PubChem CID21265546
Molecular FormulaC2H4F3NO2S
Molecular Weight163.12 g/mol
Exact Mass162.99
IUPAC Name2,2,2-trifluoroethanesulfonamide
SMILESNS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C2H4F3NO2S/c3-2(4,5)1-9(6,7)8/h1H2,(H2,6,7,8)
InChIKeyJATIGRDCWBXQRA-UHFFFAOYSA-N
XLogP-0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-Trifluoropropane-1-sulfonamide
CID 45790444
4,4,4-Trifluorobutane-1-sulfonamide
CID 22725686
2,2-Difluoroethane-1-sulfonamide
CID 50989787
1,1-Difluoroethane-1-sulfonamide
CID 57536606
3,3-Difluorocyclobutane-1-sulfonamide
CID 126756816
1,2,2,2-Tetrafluoroethane-1-sulfonamide
CID 87668762
2,2,2-Trifluoroethanesulfonimidic acid
CID 88456998
1,1,1-Trifluoropropane-2-sulfonamide
CID 71758664
3,3-Difluorobutane-1-sulfonamide
CID 130657266
1,1,1,3,3,3-Hexafluoropropane-2-sulfonamide
CID 165867610
N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 18352286
2,3-Difluorocyclopropane-1-sulfonamide
CID 18457682

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethanesulfonamide?
The IUPAC name of 2,2,2-trifluoroethanesulfonamide (CID 21265546) is 2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoroethanesulfonamide is NS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethanesulfonamide?
The InChIKey is JATIGRDCWBXQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3NO2S/c3-2(4,5)1-9(6,7)8/h1H2,(H2,6,7,8).
What are the key properties of 2,2,2-trifluoroethanesulfonamide?
2,2,2-trifluoroethanesulfonamide has a molecular weight of 163.12 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 21265546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).