1,2,2-trifluoroethanesulfonyl chloride

C2H2ClF3O2S — CID 22048301

IUPAC1,2,2-trifluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(F)C(F)F
InChIInChI=1S/C2H2ClF3O2S/c3-9(7,8)2(6)1(4)5/h1-2H
InChIKeyNTEYBYJVARVDPJ-UHFFFAOYSA-N
MW182.55 g/mol
LogP1.12
Rot. Bonds2

About 1,2,2-trifluoroethanesulfonyl chloride

1,2,2-trifluoroethanesulfonyl chloride (PubChem CID 22048301) has the molecular formula C2H2ClF3O2S and a molecular weight of 182.55 g/mol. Its IUPAC name is 1,2,2-trifluoroethanesulfonyl chloride.

Molecular Properties

Compound Name1,2,2-trifluoroethanesulfonyl chloride
PubChem CID22048301
Molecular FormulaC2H2ClF3O2S
Molecular Weight182.55 g/mol
Exact Mass181.94
IUPAC Name1,2,2-trifluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(F)C(F)F
InChIInChI=1S/C2H2ClF3O2S/c3-9(7,8)2(6)1(4)5/h1-2H
InChIKeyNTEYBYJVARVDPJ-UHFFFAOYSA-N
XLogP1.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.55
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoroethanesulfonyl chloride?
The IUPAC name of 1,2,2-trifluoroethanesulfonyl chloride (CID 22048301) is 1,2,2-trifluoroethanesulfonyl chloride.
What is the SMILES notation for 1,2,2-trifluoroethanesulfonyl chloride?
The canonical SMILES for 1,2,2-trifluoroethanesulfonyl chloride is O=S(=O)(Cl)C(F)C(F)F.
What is the InChIKey of 1,2,2-trifluoroethanesulfonyl chloride?
The InChIKey is NTEYBYJVARVDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClF3O2S/c3-9(7,8)2(6)1(4)5/h1-2H.
What are the key properties of 1,2,2-trifluoroethanesulfonyl chloride?
1,2,2-trifluoroethanesulfonyl chloride has a molecular weight of 182.55 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoroethanesulfonyl chloride is sourced from PubChem (CID 22048301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).