[1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride

C5H8ClFO2S — CID 55262831

IUPAC[1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(CF)CC1
InChIInChI=1S/C5H8ClFO2S/c6-10(8,9)4-5(3-7)1-2-5/h1-4H2
InChIKeyYICZDKAPQPYFQI-UHFFFAOYSA-N
MW186.63 g/mol
LogP1.30
Rot. Bonds3

About [1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride

[1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride (PubChem CID 55262831) has the molecular formula C5H8ClFO2S and a molecular weight of 186.63 g/mol. Its IUPAC name is [1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride
PubChem CID55262831
Molecular FormulaC5H8ClFO2S
Molecular Weight186.63 g/mol
Exact Mass185.99
IUPAC Name[1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(CF)CC1
InChIInChI=1S/C5H8ClFO2S/c6-10(8,9)4-5(3-7)1-2-5/h1-4H2
InChIKeyYICZDKAPQPYFQI-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

(1-Methylcyclopropyl)methanesulfonyl chloride
CID 55262941
(1-(Trifluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 55279242
(1-Fluorocyclopropyl)methanesulfonyl chloride
CID 125424445
2,2-Dimethylcyclopropane-1-sulfonyl chloride
CID 137944046
3-Fluoro-2,2-dimethylpropane-1-sulfonyl chloride
CID 84661777
(1-(Difluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 84672779
2-Cyclopropyl-2-fluoroethane-1-sulfonyl chloride
CID 105442390
(2,2-Difluoro-1-methylcyclopropyl)methanesulfonyl chloride
CID 122163796
rac-((1R,2R)-2-(fluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 137963782
(1-Methylcyclopropyl)methanesulfonyl fluoride
CID 138989246
3-Fluoro-3-methylbutane-1-sulfonyl chloride
CID 84661779
2,2-Dimethylcyclopropane-1-sulfonyl fluoride
CID 139363293

Frequently Asked Questions

What is the IUPAC name of [1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride?
The IUPAC name of [1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride (CID 55262831) is [1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride?
The canonical SMILES for [1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(CF)CC1.
What is the InChIKey of [1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride?
The InChIKey is YICZDKAPQPYFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClFO2S/c6-10(8,9)4-5(3-7)1-2-5/h1-4H2.
What are the key properties of [1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride?
[1-(fluoromethyl)cyclopropyl]methanesulfonyl 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 [1-(fluoromethyl)cyclopropyl]methanesulfonyl chloride is sourced from PubChem (CID 55262831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).