(trifluoromethyl)cyclobutane

• ChemBase ID: 29974
• Molecular Formular: C5H7F3
• Molecular Mass: 124.1042896
• Monoisotopic Mass: 124.04998488
• SMILES: C1CCC1C(F)(F)F
• Canonical SMILES: FC(C1CCC1)(F)F
• InChI: InChI=1S/C5H7F3/c6-5(7,8)4-2-1-3-4/h4H,1-3H2
• InChIKey: GHVOECJFQKLZHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (trifluoromethyl)cyclobutane
• IUPAC Traditional name: (trifluoromethyl)cyclobutane
• Synonyms: (Trifluoromethyl)cyclobutane

Database IDs

• MDL Number: MFCD11226578
• PubChem SID: 160993281
• PubChem CID: 23281978

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3425882
• LogD (pH = 7.4): 2.3425882
• Log P: 2.3425882
• Molar Refractivity: 23.8105 cm^3
• Polarizability: 8.730743 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT, FLAMMABLE
• TSCA Listed: false

Product Information

• Purity: 95%