1,1-difluoroethanesulfonyl chloride

C2H3ClF2O2S — CID 126697136

IUPAC1,1-difluoroethanesulfonyl chloride
SMILESCC(F)(F)S(=O)(=O)Cl
InChIInChI=1S/C2H3ClF2O2S/c1-2(4,5)8(3,6)7/h1H3
InChIKeyPQKGKAOAVCKHON-UHFFFAOYSA-N
MW164.56 g/mol
LogP1.17
Rot. Bonds1

About 1,1-difluoroethanesulfonyl chloride

1,1-difluoroethanesulfonyl chloride (PubChem CID 126697136) has the molecular formula C2H3ClF2O2S and a molecular weight of 164.56 g/mol. Its IUPAC name is 1,1-difluoroethanesulfonyl chloride.

Molecular Properties

Compound Name1,1-difluoroethanesulfonyl chloride
PubChem CID126697136
Molecular FormulaC2H3ClF2O2S
Molecular Weight164.56 g/mol
Exact Mass163.95
IUPAC Name1,1-difluoroethanesulfonyl chloride
SMILESCC(F)(F)S(=O)(=O)Cl
InChIInChI=1S/C2H3ClF2O2S/c1-2(4,5)8(3,6)7/h1H3
InChIKeyPQKGKAOAVCKHON-UHFFFAOYSA-N
XLogP1.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.56
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoroethanesulfonyl chloride
CID 74242
Sodium 1,1-difluoroethane-1-sulfinate
CID 117065045
2,2-Difluoroethanesulfonyl chloride
CID 50989405
Trifluoroethylsulfonylchloride
CID 19691189
1,1-Difluoroethanesulfinate
CID 57002230
1,1-Dideuterio-2,2,2-trifluoroethanesulfonyl chloride
CID 10750003
1,1,2-Trifluoroethanesulfinate
CID 19800889
1,1-Difluoroethane-1-sulfonyl fluoride
CID 20676892
1,1,2,2-Tetrafluoroethane-1-sulfonate
CID 21263465
1,1,2,2-Tetrafluoroethane-1-sulfonyl chloride
CID 21498350
1,1,2-Trifluoroethanesulfonate
CID 21999776
1,2,2-Trifluoroethanesulfonyl chloride
CID 22048301

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethanesulfonyl chloride?
The IUPAC name of 1,1-difluoroethanesulfonyl chloride (CID 126697136) is 1,1-difluoroethanesulfonyl chloride.
What is the SMILES notation for 1,1-difluoroethanesulfonyl chloride?
The canonical SMILES for 1,1-difluoroethanesulfonyl chloride is CC(F)(F)S(=O)(=O)Cl.
What is the InChIKey of 1,1-difluoroethanesulfonyl chloride?
The InChIKey is PQKGKAOAVCKHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClF2O2S/c1-2(4,5)8(3,6)7/h1H3.
What are the key properties of 1,1-difluoroethanesulfonyl chloride?
1,1-difluoroethanesulfonyl chloride has a molecular weight of 164.56 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethanesulfonyl chloride is sourced from PubChem (CID 126697136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).