cyclohexylmethanesulfonyl fluoride

• ChemBase ID: 267670
• Molecular Formular: C7H13FO2S
• Molecular Mass: 180.2403232
• Monoisotopic Mass: 180.06202888
• SMILES: S(=O)(=O)(CC1CCCCC1)F
• Canonical SMILES: FS(=O)(=O)CC1CCCCC1
• InChI: InChI=1S/C7H13FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h7H,1-6H2
• InChIKey: OAADUJDYQWVARQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexylmethanesulfonyl fluoride
• IUPAC Traditional name: cyclohexylmethanesulfonyl fluoride
• Synonyms: cyclohexylmethanesulfonyl fluoride

Database IDs

• MDL Number: MFCD18838654
• PubChem SID: 164323580
• PubChem CID: 54592560

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.783906
• LogD (pH = 7.4): 1.783906
• Log P: 1.783906
• Molar Refractivity: 41.337 cm^3
• Polarizability: 16.885725 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.706

Product Information

• Purity: 95%