2-cyclopropyl-2-fluoroethanesulfonyl chloride

C5H8ClFO2S — CID 105442390

IUPAC2-cyclopropyl-2-fluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)C1CC1
InChIInChI=1S/C5H8ClFO2S/c6-10(8,9)3-5(7)4-1-2-4/h4-5H,1-3H2
InChIKeyUSFQQNQMCFGXCR-UHFFFAOYSA-N
MW186.63 g/mol
LogP1.30
Rot. Bonds3

About 2-cyclopropyl-2-fluoroethanesulfonyl chloride

2-cyclopropyl-2-fluoroethanesulfonyl chloride (PubChem CID 105442390) has the molecular formula C5H8ClFO2S and a molecular weight of 186.63 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoroethanesulfonyl chloride.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoroethanesulfonyl chloride
PubChem CID105442390
Molecular FormulaC5H8ClFO2S
Molecular Weight186.63 g/mol
Exact Mass185.99
IUPAC Name2-cyclopropyl-2-fluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)C1CC1
InChIInChI=1S/C5H8ClFO2S/c6-10(8,9)3-5(7)4-1-2-4/h4-5H,1-3H2
InChIKeyUSFQQNQMCFGXCR-UHFFFAOYSA-N
XLogP1.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.63
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethylcyclopropane-1-sulfonyl chloride
CID 55212029
2-Cyclopropylethane-1-sulfonyl chloride
CID 55279594
(1-Fluorocyclopropyl)methanesulfonyl chloride
CID 125424445
(3-Fluorocyclobutyl)methanesulfonyl chloride
CID 126688657
3-Cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride
CID 105473382
2-(2,2-Difluorocyclopropyl)ethane-1-sulfonyl chloride
CID 122163794
3-Cyclopropylpropane-1-sulfonyl chloride
CID 126970913
rac-((1R,2R)-2-(fluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 137963782
(2-Methylcyclopropyl)methanesulfonyl fluoride
CID 139022381
rac-((1R,2R)-2-(trifluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 145915792
3-(Fluoromethyl)cyclobutane-1-sulfonyl chloride
CID 165947738
1-Cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride
CID 87400947

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoroethanesulfonyl chloride?
The IUPAC name of 2-cyclopropyl-2-fluoroethanesulfonyl chloride (CID 105442390) is 2-cyclopropyl-2-fluoroethanesulfonyl chloride.
What is the SMILES notation for 2-cyclopropyl-2-fluoroethanesulfonyl chloride?
The canonical SMILES for 2-cyclopropyl-2-fluoroethanesulfonyl chloride is O=S(=O)(Cl)CC(F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoroethanesulfonyl chloride?
The InChIKey is USFQQNQMCFGXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClFO2S/c6-10(8,9)3-5(7)4-1-2-4/h4-5H,1-3H2.
What are the key properties of 2-cyclopropyl-2-fluoroethanesulfonyl chloride?
2-cyclopropyl-2-fluoroethanesulfonyl chloride has a molecular weight of 186.63 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoroethanesulfonyl chloride is sourced from PubChem (CID 105442390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).