2-chloro-1-ethenyl-2,3,3-trifluoro-1-methylcyclobutane

• ChemBase ID: 8110
• Molecular Formular: C7H8ClF3
• Molecular Mass: 184.5866296
• Monoisotopic Mass: 184.0266626
• SMILES: C1(CC(C1(F)Cl)(F)F)(C)C=C
• Canonical SMILES: C=CC1(C)CC(C1(F)Cl)(F)F
• InChI: InChI=1S/C7H8ClF3/c1-3-5(2)4-6(9,10)7(5,8)11/h3H,1,4H2,2H3
• InChIKey: GNDCVAZGIZYWFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1-ethenyl-2,3,3-trifluoro-1-methylcyclobutane
• IUPAC Traditional name: 2-chloro-1-ethenyl-2,3,3-trifluoro-1-methylcyclobutane
• Synonyms: 2-Chloro-3-methyl-1,1,2-trifluoro-3-vinylcyclobutane; 1,1,2-Trifluoro-2-chloro-3-methyl-3-vinylcyclobutane

Database IDs

• CAS Number: 4265-28-5
• MDL Number: MFCD00039438
• PubChem SID: 160971417
• PubChem CID: 2777090

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0668879
• LogD (pH = 7.4): 3.0668879
• Log P: 3.0668879
• Molar Refractivity: 37.3897 cm^3
• Polarizability: 13.974963 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: FLAMMABLE; Irritant
• TSCA Listed: false