(1-fluorocyclobutyl)methyl methanesulfonate

C6H11FO3S — CID 166538136

IUPAC(1-fluorocyclobutyl)methyl methanesulfonate
SMILESCS(=O)(=O)OCC1(F)CCC1
InChIInChI=1S/C6H11FO3S/c1-11(8,9)10-5-6(7)3-2-4-6/h2-5H2,1H3
InChIKeyZHEZAUBFFBCODE-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.85
Rot. Bonds3

About (1-fluorocyclobutyl)methyl methanesulfonate

(1-fluorocyclobutyl)methyl methanesulfonate (PubChem CID 166538136) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is (1-fluorocyclobutyl)methyl methanesulfonate.

Molecular Properties

Compound Name(1-fluorocyclobutyl)methyl methanesulfonate
PubChem CID166538136
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Name(1-fluorocyclobutyl)methyl methanesulfonate
SMILESCS(=O)(=O)OCC1(F)CCC1
InChIInChI=1S/C6H11FO3S/c1-11(8,9)10-5-6(7)3-2-4-6/h2-5H2,1H3
InChIKeyZHEZAUBFFBCODE-UHFFFAOYSA-N
XLogP0.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)methyl methanesulfonate?
The IUPAC name of (1-fluorocyclobutyl)methyl methanesulfonate (CID 166538136) is (1-fluorocyclobutyl)methyl methanesulfonate.
What is the SMILES notation for (1-fluorocyclobutyl)methyl methanesulfonate?
The canonical SMILES for (1-fluorocyclobutyl)methyl methanesulfonate is CS(=O)(=O)OCC1(F)CCC1.
What is the InChIKey of (1-fluorocyclobutyl)methyl methanesulfonate?
The InChIKey is ZHEZAUBFFBCODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3S/c1-11(8,9)10-5-6(7)3-2-4-6/h2-5H2,1H3.
What are the key properties of (1-fluorocyclobutyl)methyl methanesulfonate?
(1-fluorocyclobutyl)methyl methanesulfonate has a molecular weight of 182.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)methyl methanesulfonate is sourced from PubChem (CID 166538136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).