2,2-difluoropropane-1-sulfonyl chloride

C3H5ClF2O2S — CID 84656710

IUPAC2,2-difluoropropane-1-sulfonyl chloride
SMILESCC(F)(F)CS(=O)(=O)Cl
InChIInChI=1S/C3H5ClF2O2S/c1-3(5,6)2-9(4,7)8/h2H2,1H3
InChIKeyMUHVCEAOLHMMMB-UHFFFAOYSA-N
MW178.59 g/mol
LogP1.21
Rot. Bonds2

About 2,2-difluoropropane-1-sulfonyl chloride

2,2-difluoropropane-1-sulfonyl chloride (PubChem CID 84656710) has the molecular formula C3H5ClF2O2S and a molecular weight of 178.59 g/mol. Its IUPAC name is 2,2-difluoropropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,2-difluoropropane-1-sulfonyl chloride
PubChem CID84656710
Molecular FormulaC3H5ClF2O2S
Molecular Weight178.59 g/mol
Exact Mass177.97
IUPAC Name2,2-difluoropropane-1-sulfonyl chloride
SMILESCC(F)(F)CS(=O)(=O)Cl
InChIInChI=1S/C3H5ClF2O2S/c1-3(5,6)2-9(4,7)8/h2H2,1H3
InChIKeyMUHVCEAOLHMMMB-UHFFFAOYSA-N
XLogP1.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.59
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoropropane-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropane-1-sulfonyl chloride?
The IUPAC name of 2,2-difluoropropane-1-sulfonyl chloride (CID 84656710) is 2,2-difluoropropane-1-sulfonyl chloride.
What is the SMILES notation for 2,2-difluoropropane-1-sulfonyl chloride?
The canonical SMILES for 2,2-difluoropropane-1-sulfonyl chloride is CC(F)(F)CS(=O)(=O)Cl.
What is the InChIKey of 2,2-difluoropropane-1-sulfonyl chloride?
The InChIKey is MUHVCEAOLHMMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClF2O2S/c1-3(5,6)2-9(4,7)8/h2H2,1H3.
What are the key properties of 2,2-difluoropropane-1-sulfonyl chloride?
2,2-difluoropropane-1-sulfonyl chloride has a molecular weight of 178.59 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropane-1-sulfonyl chloride is sourced from PubChem (CID 84656710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).