tetradecafluorohept-2-ene

• ChemBase ID: 99727
• Molecular Formular: C7F14
• Molecular Mass: 350.0525448
• Monoisotopic Mass: 349.97764508
• SMILES: F/C(=C(/F)\C(F)(F)C(F)(F)C(C(F)(F)F)(F)F)/C(F)(F)F
• Canonical SMILES: F/C(=C(\C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)/F)/C(F)(F)F
• InChI: InChI=1S/C7F14/c8-1(2(9)4(12,13)14)3(10,11)5(15,16)6(17,18)7(19,20)21
• InChIKey: UGHJWZHBCXGSAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradecafluorohept-2-ene
• IUPAC Traditional name: tetradecafluorohept-2-ene
• Synonyms: Perfluorohept-2-ene

Database IDs

• CAS Number: 1582-32-7
• MDL Number: MFCD03094437
• PubChem SID: 162085980
• PubChem CID: 2778718

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.261702
• LogD (pH = 7.4): 4.261702
• Log P: 4.261702
• Molar Refractivity: 37.4474 cm^3
• Polarizability: 13.750583 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant