1,1,3,3,3-pentafluoro-2-(trifluoromethyl)prop-1-ene

• ChemBase ID: 128875
• Molecular Formular: C4F8
• Molecular Mass: 200.0300256
• Monoisotopic Mass: 199.98722576
• SMILES: C(=C(F)F)(C(F)(F)F)C(F)(F)F
• Canonical SMILES: FC(=C(C(F)(F)F)C(F)(F)F)F
• InChI: InChI=1S/C4F8/c5-2(6)1(3(7,8)9)4(10,11)12
• InChIKey: DAFIBNSJXIGBQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)prop-1-ene
• IUPAC Traditional name: perfluoroisobutylene
• Synonyms: Perfluoroisobutene; Perfluoroisobutylene; Octafluoroisobutylene; Octafluoro-sec-butene; PFIB; Perfluoroisobutene

Database IDs

• CAS Number: 382-21-8
• PubChem SID: 162223178
• PubChem CID: 61109
• Wikipedia Title: Perfluoroisobutene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6448092
• LogD (pH = 7.4): 2.6448092
• Log P: 2.6448092
• Molar Refractivity: 32.9259 cm^3
• Polarizability: 7.9991937 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 7.0 °C (280 K)
• Density: 8.2 g/l

Safety Information

• RTECS: UD1800000