2,2-difluorocyclopropane-1-sulfonyl chloride

C3H3ClF2O2S — CID 130977081

IUPAC2,2-difluorocyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC1(F)F
InChIInChI=1S/C3H3ClF2O2S/c4-9(7,8)2-1-3(2,5)6/h2H,1H2
InChIKeyQXEHPDCUUOQBIX-UHFFFAOYSA-N
MW176.57 g/mol
LogP0.96
Rot. Bonds1

About 2,2-difluorocyclopropane-1-sulfonyl chloride

2,2-difluorocyclopropane-1-sulfonyl chloride (PubChem CID 130977081) has the molecular formula C3H3ClF2O2S and a molecular weight of 176.57 g/mol. Its IUPAC name is 2,2-difluorocyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,2-difluorocyclopropane-1-sulfonyl chloride
PubChem CID130977081
Molecular FormulaC3H3ClF2O2S
Molecular Weight176.57 g/mol
Exact Mass175.95
IUPAC Name2,2-difluorocyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC1(F)F
InChIInChI=1S/C3H3ClF2O2S/c4-9(7,8)2-1-3(2,5)6/h2H,1H2
InChIKeyQXEHPDCUUOQBIX-UHFFFAOYSA-N
XLogP0.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.57
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluorocyclopropane-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-difluorocyclopropane-1-sulfonyl chloride?
The IUPAC name of 2,2-difluorocyclopropane-1-sulfonyl chloride (CID 130977081) is 2,2-difluorocyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 2,2-difluorocyclopropane-1-sulfonyl chloride?
The canonical SMILES for 2,2-difluorocyclopropane-1-sulfonyl chloride is O=S(=O)(Cl)C1CC1(F)F.
What is the InChIKey of 2,2-difluorocyclopropane-1-sulfonyl chloride?
The InChIKey is QXEHPDCUUOQBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClF2O2S/c4-9(7,8)2-1-3(2,5)6/h2H,1H2.
What are the key properties of 2,2-difluorocyclopropane-1-sulfonyl chloride?
2,2-difluorocyclopropane-1-sulfonyl chloride has a molecular weight of 176.57 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorocyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 130977081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).