1,1,2-trifluoro-2-(trifluoromethoxy)ethene

• ChemBase ID: 8654
• Molecular Formular: C3F6O
• Molecular Mass: 166.0219192
• Monoisotopic Mass: 165.98533394
• SMILES: C(=C(F)F)(OC(F)(F)F)F
• Canonical SMILES: FC(=C(OC(F)(F)F)F)F
• InChI: InChI=1S/C3F6O/c4-1(5)2(6)10-3(7,8)9
• InChIKey: BLTXWCKMNMYXEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-trifluoro-2-(trifluoromethoxy)ethene
• IUPAC Traditional name: 1,1,2-trifluoro-2-(trifluoromethoxy)ethene
• Synonyms: Trifluoromethyl trifluorovinyl ether; Trifluoromethyl trifluorovinyl ether 99%; 1,1,2-trifluoro-2-(trifluoromethoxy)ethene

Database IDs

• CAS Number: 1187-93-5
• MDL Number: MFCD00221780
• PubChem SID: 160971961
• PubChem CID: 14474

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9209785
• LogD (pH = 7.4): 2.9209785
• Log P: 2.9209785
• Molar Refractivity: 34.6566 cm^3
• Polarizability: 6.913846 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -22°C
• Hydrophobicity(logP): 2.045

Safety Information

• Storage Warning: Flammable gas; GAS, FLAMMABLE
• RTECS: KO4350000
• TSCA Listed: true

Product Information

• Purity: 95%; 99%

DETAILS

Apollo Scientific Ltd - PC7778E

Improves low temperature performance & chemical resistance when used as a co-polymer to VDF &/or PTFE. Cylinder - 1/4" NPT connection