7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododec-5-ene

• ChemBase ID: 94651
• Molecular Formular: C12H11F13
• Molecular Mass: 402.1949816
• Monoisotopic Mass: 402.06531721
• SMILES: FC(F)(F)C(F)(F)C(C(C(F)(C(/C=C/CCCC)(F)F)F)(F)F)(F)F
• Canonical SMILES: CCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12H11F13/c1-2-3-4-5-6-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h5-6H,2-4H2,1H3
• InChIKey: MROPLCIMSIZRIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododec-5-ene
• IUPAC Traditional name: 7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododec-5-ene
• Synonyms: 1-(Perfluorohexyl)hex-1-ene 97%

Database IDs

• MDL Number: MFCD00156010
• PubChem SID: 162081305
• PubChem CID: 5708684

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.0814257
• LogD (pH = 7.4): 7.0814257
• Log P: 7.0814257
• Molar Refractivity: 59.3983 cm^3
• Polarizability: 21.641314 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant