[1-(trifluoromethyl)cyclopentyl]benzene

• ChemBase ID: 66104
• Molecular Formular: C12H13F3
• Molecular Mass: 214.2268296
• Monoisotopic Mass: 214.09693508
• SMILES: c1cccc(c1)C1(CCCC1)C(F)(F)F
• Canonical SMILES: FC(C1(CCCC1)c1ccccc1)(F)F
• InChI: InChI=1S/C12H13F3/c13-12(14,15)11(8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
• InChIKey: AZJIMADXRINDHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(trifluoromethyl)cyclopentyl]benzene
• IUPAC Traditional name: [1-(trifluoromethyl)cyclopentyl]benzene
• Synonyms: (1-[Trifluoromethyl]cyclopentyl)benzene

Database IDs

• MDL Number: MFCD11226607
• PubChem SID: 162031843
• PubChem CID: 45790555

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3081408
• LogD (pH = 7.4): 4.3081408
• Log P: 4.3081408
• Molar Refractivity: 53.0562 cm^3
• Polarizability: 19.752012 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%