2,2-difluoroethanesulfonyl chloride

C2H3ClF2O2S — CID 50989405

IUPAC2,2-difluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)F
InChIInChI=1S/C2H3ClF2O2S/c3-8(6,7)1-2(4)5/h2H,1H2
InChIKeyWTNIHKYYNJGJRA-UHFFFAOYSA-N
MW164.56 g/mol
LogP0.82
Rot. Bonds2

About 2,2-difluoroethanesulfonyl chloride

2,2-difluoroethanesulfonyl chloride (PubChem CID 50989405) has the molecular formula C2H3ClF2O2S and a molecular weight of 164.56 g/mol. Its IUPAC name is 2,2-difluoroethanesulfonyl chloride.

Molecular Properties

Compound Name2,2-difluoroethanesulfonyl chloride
PubChem CID50989405
Molecular FormulaC2H3ClF2O2S
Molecular Weight164.56 g/mol
Exact Mass163.95
IUPAC Name2,2-difluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)F
InChIInChI=1S/C2H3ClF2O2S/c3-8(6,7)1-2(4)5/h2H,1H2
InChIKeyWTNIHKYYNJGJRA-UHFFFAOYSA-N
XLogP0.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.56
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethanesulfonyl chloride?
The IUPAC name of 2,2-difluoroethanesulfonyl chloride (CID 50989405) is 2,2-difluoroethanesulfonyl chloride.
What is the SMILES notation for 2,2-difluoroethanesulfonyl chloride?
The canonical SMILES for 2,2-difluoroethanesulfonyl chloride is O=S(=O)(Cl)CC(F)F.
What is the InChIKey of 2,2-difluoroethanesulfonyl chloride?
The InChIKey is WTNIHKYYNJGJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClF2O2S/c3-8(6,7)1-2(4)5/h2H,1H2.
What are the key properties of 2,2-difluoroethanesulfonyl chloride?
2,2-difluoroethanesulfonyl chloride has a molecular weight of 164.56 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethanesulfonyl chloride is sourced from PubChem (CID 50989405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).