(1-fluorocyclopentyl)methyl methanesulfonate

C7H13FO3S — CID 87194857

IUPAC(1-fluorocyclopentyl)methyl methanesulfonate
SMILESCS(=O)(=O)OCC1(F)CCCC1
InChIInChI=1S/C7H13FO3S/c1-12(9,10)11-6-7(8)4-2-3-5-7/h2-6H2,1H3
InChIKeyKMNYGCVBWZIEPY-UHFFFAOYSA-N
MW196.24 g/mol
LogP1.24
Rot. Bonds3

About (1-fluorocyclopentyl)methyl methanesulfonate

(1-fluorocyclopentyl)methyl methanesulfonate (PubChem CID 87194857) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is (1-fluorocyclopentyl)methyl methanesulfonate.

Molecular Properties

Compound Name(1-fluorocyclopentyl)methyl methanesulfonate
PubChem CID87194857
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name(1-fluorocyclopentyl)methyl methanesulfonate
SMILESCS(=O)(=O)OCC1(F)CCCC1
InChIInChI=1S/C7H13FO3S/c1-12(9,10)11-6-7(8)4-2-3-5-7/h2-6H2,1H3
InChIKeyKMNYGCVBWZIEPY-UHFFFAOYSA-N
XLogP1.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.24
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-fluorocyclopentyl)methyl methanesulfonate?
The IUPAC name of (1-fluorocyclopentyl)methyl methanesulfonate (CID 87194857) is (1-fluorocyclopentyl)methyl methanesulfonate.
What is the SMILES notation for (1-fluorocyclopentyl)methyl methanesulfonate?
The canonical SMILES for (1-fluorocyclopentyl)methyl methanesulfonate is CS(=O)(=O)OCC1(F)CCCC1.
What is the InChIKey of (1-fluorocyclopentyl)methyl methanesulfonate?
The InChIKey is KMNYGCVBWZIEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c1-12(9,10)11-6-7(8)4-2-3-5-7/h2-6H2,1H3.
What are the key properties of (1-fluorocyclopentyl)methyl methanesulfonate?
(1-fluorocyclopentyl)methyl methanesulfonate has a molecular weight of 196.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopentyl)methyl methanesulfonate is sourced from PubChem (CID 87194857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).