1,1,1,3,3,3-hexafluoropropan-2-yl 2-fluoroprop-2-enoate

• ChemBase ID: 11977
• Molecular Formular: C6H3F7O2
• Molecular Mass: 240.0756424
• Monoisotopic Mass: 240.00212688
• SMILES: C(=O)(C(=C)F)OC(C(F)(F)F)C(F)(F)F
• Canonical SMILES: FC(=C)C(=O)OC(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C6H3F7O2/c1-2(7)3(14)15-4(5(8,9)10)6(11,12)13/h4H,1H2
• InChIKey: RNMOMNJMYZWWGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,3,3,3-hexafluoropropan-2-yl 2-fluoroprop-2-enoate
• IUPAC Traditional name: 1,1,1,3,3,3-hexafluoropropan-2-yl 2-fluoroprop-2-enoate
• Synonyms: 1,1,1,3,3,3-Hexafluoroisopropyl 2-fluoroacrylate

Database IDs

• CAS Number: 74359-06-1
• MDL Number: MFCD03094251
• PubChem SID: 160975284
• PubChem CID: 2778359

CALCULATED PROPERTIES

• Acid pKa: 15.016446
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.809744
• LogD (pH = 7.4): 2.809744
• Log P: 2.809744
• Molar Refractivity: 32.8338 cm^3
• Polarizability: 12.19756 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%