[1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride

C6H9ClF2O2S — CID 138040905

IUPAC[1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride
SMILESCC(F)(F)C1(CS(=O)(=O)Cl)CC1
InChIInChI=1S/C6H9ClF2O2S/c1-5(8,9)6(2-3-6)4-12(7,10)11/h2-4H2,1H3
InChIKeyWSDUWPGWYOYNPQ-UHFFFAOYSA-N
MW218.65 g/mol
LogP1.99
Rot. Bonds3

About [1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride

[1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride (PubChem CID 138040905) has the molecular formula C6H9ClF2O2S and a molecular weight of 218.65 g/mol. Its IUPAC name is [1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride
PubChem CID138040905
Molecular FormulaC6H9ClF2O2S
Molecular Weight218.65 g/mol
Exact Mass218.00
IUPAC Name[1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride
SMILESCC(F)(F)C1(CS(=O)(=O)Cl)CC1
InChIInChI=1S/C6H9ClF2O2S/c1-5(8,9)6(2-3-6)4-12(7,10)11/h2-4H2,1H3
InChIKeyWSDUWPGWYOYNPQ-UHFFFAOYSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl 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 [1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride?
The IUPAC name of [1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride (CID 138040905) is [1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride?
The canonical SMILES for [1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride is CC(F)(F)C1(CS(=O)(=O)Cl)CC1.
What is the InChIKey of [1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride?
The InChIKey is WSDUWPGWYOYNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF2O2S/c1-5(8,9)6(2-3-6)4-12(7,10)11/h2-4H2,1H3.
What are the key properties of [1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride?
[1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride has a molecular weight of 218.65 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride is sourced from PubChem (CID 138040905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).