1,1-difluoroethene 1-chloro-1,2,2-trifluoroethene tert-butoxy prop-2-en-1-yl carbonate

• ChemBase ID: 93323
• Molecular Formular: C12H16ClF5O4
• Molecular Mass: 354.698056
• Monoisotopic Mass: 354.06572777
• SMILES: CC(C)(C)OOC(=O)OCC=C.C=C(F)F.C(=C(F)Cl)(F)F
• Canonical SMILES: FC(=C(F)F)Cl.FC(=C)F.C=CCOC(=O)OOC(C)(C)C
• InChI: InChI=1S/C8H14O4.C2ClF3.C2H2F2/c1-5-6-10-7(9)11-12-8(2,3)4;3-1(4)2(5)6;1-2(3)4/h5H,1,6H2,2-4H3;;1H2
• InChIKey: LHYCPUSHQYOETB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-difluoroethene 1-chloro-1,2,2-trifluoroethene tert-butoxy prop-2-en-1-yl carbonate
• IUPAC Traditional name: 1,1-difluoroethene chlorotrifluoroethylene tert-butoxy prop-2-en-1-yl carbonate
• Synonyms: Cefral soft G150F200

Database IDs

• CAS Number: 89823-13-2
• MDL Number: MFCD00197798
• PubChem SID: 162080008
• PubChem CID: 71299601

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4781518
• LogD (pH = 7.4): 2.4781518
• Log P: 2.4781518
• Molar Refractivity: 43.3549 cm^3
• Polarizability: 17.425348 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

Apollo Scientific Ltd - PC0626

Fluorinated graft copolymer