(3-fluorocyclobutyl)methanesulfonyl chloride

C5H8ClFO2S — CID 126688657

IUPAC(3-fluorocyclobutyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CC(F)C1
InChIInChI=1S/C5H8ClFO2S/c6-10(8,9)3-4-1-5(7)2-4/h4-5H,1-3H2
InChIKeyKUMROZZCNLJEEG-UHFFFAOYSA-N
MW186.63 g/mol
LogP1.30
Rot. Bonds2

About (3-fluorocyclobutyl)methanesulfonyl chloride

(3-fluorocyclobutyl)methanesulfonyl chloride (PubChem CID 126688657) has the molecular formula C5H8ClFO2S and a molecular weight of 186.63 g/mol. Its IUPAC name is (3-fluorocyclobutyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-fluorocyclobutyl)methanesulfonyl chloride
PubChem CID126688657
Molecular FormulaC5H8ClFO2S
Molecular Weight186.63 g/mol
Exact Mass185.99
IUPAC Name(3-fluorocyclobutyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CC(F)C1
InChIInChI=1S/C5H8ClFO2S/c6-10(8,9)3-4-1-5(7)2-4/h4-5H,1-3H2
InChIKeyKUMROZZCNLJEEG-UHFFFAOYSA-N
XLogP1.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclobutyl)methanesulfonyl chloride?
The IUPAC name of (3-fluorocyclobutyl)methanesulfonyl chloride (CID 126688657) is (3-fluorocyclobutyl)methanesulfonyl chloride.
What is the SMILES notation for (3-fluorocyclobutyl)methanesulfonyl chloride?
The canonical SMILES for (3-fluorocyclobutyl)methanesulfonyl chloride is O=S(=O)(Cl)CC1CC(F)C1.
What is the InChIKey of (3-fluorocyclobutyl)methanesulfonyl chloride?
The InChIKey is KUMROZZCNLJEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClFO2S/c6-10(8,9)3-4-1-5(7)2-4/h4-5H,1-3H2.
What are the key properties of (3-fluorocyclobutyl)methanesulfonyl chloride?
(3-fluorocyclobutyl)methanesulfonyl chloride has a molecular weight of 186.63 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclobutyl)methanesulfonyl chloride is sourced from PubChem (CID 126688657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).