3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododec-1-ene

• ChemBase ID: 7721
• Molecular Formular: C12H3F21
• Molecular Mass: 546.1186872
• Monoisotopic Mass: 545.98994272
• SMILES: 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)(C(F)(F)F)(F)F
• Canonical SMILES: C=CC(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
• InChI: InChI=1S/C12H3F21/c1-2-3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h2H,1H2
• InChIKey: UCHSAVGOZUCXHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododec-1-ene
• IUPAC Traditional name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododec-1-ene
• Synonyms: 1H,1H,2H-Perfluoro-1-dodecene; 1H,1H,2H-Perfluoro-1-dodecene; (Perfluorodecyl)ethylene; 1H,1H,2H-Perfluorododec-1-ene 97%; 1H,1H,2H-全氟-1-十二烯

Database IDs

• CAS Number: 30389-25-4
• EC Number: 250-173-3
• MDL Number: MFCD00042346
• Beilstein Number: 2493721
• PubChem SID: 160971028
• PubChem CID: 121692

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.163655
• LogD (pH = 7.4): 8.163655
• Log P: 8.163655
• Molar Refractivity: 58.5938 cm^3
• Polarizability: 22.782454 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 71-72°C/14mm; 71-72°C/14mm
• Flash Point: none°C
• Density: 1.711
• Refractive Index: 1.303; 1.3050

Safety Information

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

Product Information

• Purity: 97%