tetradecafluorohept-1-ene

• ChemBase ID: 8362
• Molecular Formular: C7F14
• Molecular Mass: 350.0525448
• Monoisotopic Mass: 349.97764508
• SMILES: C(=C(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(=C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F
• InChI: InChI=1S/C7F14/c8-1(2(9)10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21
• InChIKey: CDAVUOSPHHTNBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradecafluorohept-1-ene
• IUPAC Traditional name: tetradecafluoro-hept-1-ene
• Synonyms: Perfluorohept-1-ene 95%; Perfluoroheptene-1

Database IDs

• CAS Number: 355-63-5
• MDL Number: MFCD00013577
• PubChem SID: 160971669
• PubChem CID: 67737

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.615012
• LogD (pH = 7.4): 4.615012
• Log P: 4.615012
• Molar Refractivity: 46.5112 cm^3
• Polarizability: 13.753473 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80-82°C
• Refractive Index: 1.2782; 1.282

Safety Information

• Storage Warning: IRRITANT, KEEP COLD; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 90%

DETAILS

Apollo Scientific Ltd - PC6040

Contains up to 10% perfluorohept-2-ene