1,2,2-trifluoroethanesulfonamide

C2H4F3NO2S — CID 22935181

IUPAC1,2,2-trifluoroethanesulfonamide
SMILESNS(=O)(=O)C(F)C(F)F
InChIInChI=1S/C2H4F3NO2S/c3-1(4)2(5)9(6,7)8/h1-2H,(H2,6,7,8)
InChIKeyRGLOBRGJZGUJDY-UHFFFAOYSA-N
MW163.12 g/mol
LogP-0.16
Rot. Bonds2

About 1,2,2-trifluoroethanesulfonamide

1,2,2-trifluoroethanesulfonamide (PubChem CID 22935181) has the molecular formula C2H4F3NO2S and a molecular weight of 163.12 g/mol. Its IUPAC name is 1,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound Name1,2,2-trifluoroethanesulfonamide
PubChem CID22935181
Molecular FormulaC2H4F3NO2S
Molecular Weight163.12 g/mol
Exact Mass162.99
IUPAC Name1,2,2-trifluoroethanesulfonamide
SMILESNS(=O)(=O)C(F)C(F)F
InChIInChI=1S/C2H4F3NO2S/c3-1(4)2(5)9(6,7)8/h1-2H,(H2,6,7,8)
InChIKeyRGLOBRGJZGUJDY-UHFFFAOYSA-N
XLogP-0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoroethanesulfonamide?
The IUPAC name of 1,2,2-trifluoroethanesulfonamide (CID 22935181) is 1,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for 1,2,2-trifluoroethanesulfonamide?
The canonical SMILES for 1,2,2-trifluoroethanesulfonamide is NS(=O)(=O)C(F)C(F)F.
What is the InChIKey of 1,2,2-trifluoroethanesulfonamide?
The InChIKey is RGLOBRGJZGUJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3NO2S/c3-1(4)2(5)9(6,7)8/h1-2H,(H2,6,7,8).
What are the key properties of 1,2,2-trifluoroethanesulfonamide?
1,2,2-trifluoroethanesulfonamide has a molecular weight of 163.12 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 22935181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).