1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride

C5H7ClF2O2S — CID 165496288

IUPAC1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(CC(F)F)CC1
InChIInChI=1S/C5H7ClF2O2S/c6-11(9,10)5(1-2-5)3-4(7)8/h4H,1-3H2
InChIKeyQPDSHIYRNVWHLT-UHFFFAOYSA-N
MW204.62 g/mol
LogP1.74
Rot. Bonds3

About 1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride

1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride (PubChem CID 165496288) has the molecular formula C5H7ClF2O2S and a molecular weight of 204.62 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride
PubChem CID165496288
Molecular FormulaC5H7ClF2O2S
Molecular Weight204.62 g/mol
Exact Mass203.98
IUPAC Name1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(CC(F)F)CC1
InChIInChI=1S/C5H7ClF2O2S/c6-11(9,10)5(1-2-5)3-4(7)8/h4H,1-3H2
InChIKeyQPDSHIYRNVWHLT-UHFFFAOYSA-N
XLogP1.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroethyl)cyclopropane-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

Related Compounds

(1-(Trifluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 55279242
1-(Difluoromethyl)cyclopropane-1-sulfonyl chloride
CID 131316551
(1-(Difluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 84672779
2-(2,2-Difluorocyclopropyl)ethane-1-sulfonyl chloride
CID 122163794
rac-((1R,2R)-2-(trifluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 145915792
(R)-1-(2,3-Difluoropropyl)cyclopropane-1-sulfonyl chloride
CID 55279586
1-(2,3-Difluoropropyl)cyclopropane-1-sulfonyl chloride
CID 76223091
1-Cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride
CID 87400947
1-(Trifluoromethyl)cyclopropane-1-sulfinate
CID 118236232
Fluoro cyclopropyl(difluoro)methanesulfonate
CID 161043921
2-Cyclopropyl-2,2-difluoroethanesulfonyl chloride
CID 105456937
2-[(1R)-2,2-difluorocyclopropyl]ethanesulfonyl chloride
CID 125424325

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride (CID 165496288) is 1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride is O=S(=O)(Cl)C1(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is QPDSHIYRNVWHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF2O2S/c6-11(9,10)5(1-2-5)3-4(7)8/h4H,1-3H2.
What are the key properties of 1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride?
1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 204.62 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165496288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).