(2,2,2-trifluoroethyl)cyclopropane

• ChemBase ID: 29814
• Molecular Formular: C5H7F3
• Molecular Mass: 124.1042896
• Monoisotopic Mass: 124.04998488
• SMILES: C1(CC1)CC(F)(F)F
• Canonical SMILES: FC(CC1CC1)(F)F
• InChI: InChI=1S/C5H7F3/c6-5(7,8)3-4-1-2-4/h4H,1-3H2
• InChIKey: RZUIWXXZNWWSHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2,2-trifluoroethyl)cyclopropane
• IUPAC Traditional name: (2,2,2-trifluoroethyl)cyclopropane
• Synonyms: (2,2,2-Trifluoroethyl)cyclopropane

Database IDs

• MDL Number: MFCD11100548
• PubChem SID: 160993121
• PubChem CID: 45790485

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2554553
• LogD (pH = 7.4): 2.2554553
• Log P: 2.2554553
• Molar Refractivity: 23.7359 cm^3
• Polarizability: 8.730669 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: 95%