(1-fluorocyclopropyl)methanesulfonyl chloride

C4H6ClFO2S — CID 125424445

IUPAC(1-fluorocyclopropyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(F)CC1
InChIInChI=1S/C4H6ClFO2S/c5-9(7,8)3-4(6)1-2-4/h1-3H2
InChIKeyWFQALSZGXIQRPO-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.06
Rot. Bonds2

About (1-fluorocyclopropyl)methanesulfonyl chloride

(1-fluorocyclopropyl)methanesulfonyl chloride (PubChem CID 125424445) has the molecular formula C4H6ClFO2S and a molecular weight of 172.61 g/mol. Its IUPAC name is (1-fluorocyclopropyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-fluorocyclopropyl)methanesulfonyl chloride
PubChem CID125424445
Molecular FormulaC4H6ClFO2S
Molecular Weight172.61 g/mol
Exact Mass171.98
IUPAC Name(1-fluorocyclopropyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(F)CC1
InChIInChI=1S/C4H6ClFO2S/c5-9(7,8)3-4(6)1-2-4/h1-3H2
InChIKeyWFQALSZGXIQRPO-UHFFFAOYSA-N
XLogP1.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopropylmethanesulphonyl chloride
CID 14106996
(1-(Trifluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 55279242
(2,2-Difluorocyclopropyl)methanesulfonyl chloride
CID 55279478
Cyclopropylmethanesulfonyl fluoride
CID 115011326
2-Fluoro-2-methylpropane-1-sulfonyl chloride
CID 126688674
1-(Difluoromethyl)cyclopropane-1-sulfonyl chloride
CID 131316551
(1-(Difluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 84672779
2-Cyclopropyl-2-fluoroethane-1-sulfonyl chloride
CID 105442390
rac-((1R,2R)-2-(fluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 137963782
rac-(1R,2R)-2-methylcyclopropane-1-sulfonyl chloride
CID 138987616
cis-(1S,2R)-2-fluorocyclopropane-1-sulfonate
CID 141658741
2-Fluorocyclopropanesulfonyl chloride
CID 141729449

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)methanesulfonyl chloride?
The IUPAC name of (1-fluorocyclopropyl)methanesulfonyl chloride (CID 125424445) is (1-fluorocyclopropyl)methanesulfonyl chloride.
What is the SMILES notation for (1-fluorocyclopropyl)methanesulfonyl chloride?
The canonical SMILES for (1-fluorocyclopropyl)methanesulfonyl chloride is O=S(=O)(Cl)CC1(F)CC1.
What is the InChIKey of (1-fluorocyclopropyl)methanesulfonyl chloride?
The InChIKey is WFQALSZGXIQRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClFO2S/c5-9(7,8)3-4(6)1-2-4/h1-3H2.
What are the key properties of (1-fluorocyclopropyl)methanesulfonyl chloride?
(1-fluorocyclopropyl)methanesulfonyl chloride has a molecular weight of 172.61 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)methanesulfonyl chloride is sourced from PubChem (CID 125424445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).