2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl chloride

• ChemBase ID: 93588
• Molecular Formular: C6ClF11O2
• Molecular Mass: 348.4984352
• Monoisotopic Mass: 347.94111734
• SMILES: O(C(C(F)(C(F)(F)F)F)(F)F)C(C(=O)Cl)(F)C(F)(F)F
• Canonical SMILES: ClC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6ClF11O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
• InChIKey: KLAVPNKIYBZAOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl chloride
• IUPAC Traditional name: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl chloride
• Synonyms: Perfluoro(2-methyl-3-oxahexanoyl) chloride

Database IDs

• CAS Number: 72848-57-8
• MDL Number: MFCD00155946
• PubChem SID: 162080273
• PubChem CID: 2782597

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5296288
• LogD (pH = 7.4): 4.5296288
• Log P: 4.5296288
• Molar Refractivity: 38.9957 cm^3
• Polarizability: 15.0166235 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 73-74°C

Safety Information

• Storage Warning: Corrosive/Irritant/Moisture Sensitive