cyclohexanesulfonyl fluoride

• ChemBase ID: 267669
• Molecular Formular: C6H11FO2S
• Molecular Mass: 166.2137432
• Monoisotopic Mass: 166.04637881
• SMILES: S(=O)(=O)(C1CCCCC1)F
• Canonical SMILES: FS(=O)(=O)C1CCCCC1
• InChI: InChI=1S/C6H11FO2S/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2
• InChIKey: AZEGOLOUIMTJRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexanesulfonyl fluoride
• IUPAC Traditional name: cyclohexanesulfonyl fluoride
• Synonyms: cyclohexanesulfonyl fluoride

Database IDs

• MDL Number: MFCD20233271
• PubChem SID: 164323579
• PubChem CID: 222491

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6210824
• LogD (pH = 7.4): 1.6210824
• Log P: 1.6210824
• Molar Refractivity: 36.73 cm^3
• Polarizability: 15.071325 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.087

Product Information

• Purity: 95%