3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-1-ene

• ChemBase ID: 12106
• Molecular Formular: C14H3F25
• Molecular Mass: 646.1337
• Monoisotopic Mass: 645.9835556
• SMILES: C=CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14H3F25/c1-2-3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h2H,1H2
• InChIKey: CAAQNKVBCKOIAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-1-ene
• IUPAC Traditional name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-1-ene
• Synonyms: 1H,1H,2H-Perfluoro-1-tetradecene; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentacosafluorotetradec-1-ene; (Perfluorododec-1-yl)ethylene; 1H,1H,2H-Pentacosafluorotetradec-1-ene 97%

Database IDs

• CAS Number: 67103-05-3
• MDL Number: MFCD04038351
• PubChem SID: 160975413
• PubChem CID: 2782411

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.56494
• LogD (pH = 7.4): 9.56494
• Log P: 9.56494
• Molar Refractivity: 67.9298 cm^3
• Polarizability: 26.613874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 61-62°C; 62-63°C
• Boiling Point: 118-120°C/20mm
• Flash Point: none°C

Safety Information

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

Product Information

• Purity: 97%