(1,1,1-trifluorohexan-2-yl)cyclopentane

• ChemBase ID: 29899
• Molecular Formular: C11H19F3
• Molecular Mass: 208.2637696
• Monoisotopic Mass: 208.14388527
• SMILES: C1(CCCC1)C(CCCC)C(F)(F)F
• Canonical SMILES: CCCCC(C(F)(F)F)C1CCCC1
• InChI: InChI=1S/C11H19F3/c1-2-3-8-10(11(12,13)14)9-6-4-5-7-9/h9-10H,2-8H2,1H3
• InChIKey: ZUICBPKRTOLBQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,1,1-trifluorohexan-2-yl)cyclopentane
• IUPAC Traditional name: (1,1,1-trifluorohexan-2-yl)cyclopentane
• Synonyms: (1-Trifluoromethyl-pentyl)cyclopentane

Database IDs

• MDL Number: MFCD11226529
• PubChem SID: 160993206
• PubChem CID: 45790494

CALCULATED PROPERTIES

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8524504
• LogD (pH = 7.4): 4.8524504
• Log P: 4.8524504
• Molar Refractivity: 51.3641 cm^3
• Polarizability: 19.474125 Å^3
• Polar Surface Area: 0.0 Å^2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%