2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-ene

• ChemBase ID: 98728
• Molecular Formular: C7H3F11
• Molecular Mass: 296.0811552
• Monoisotopic Mass: 296.00591052
• SMILES: FC(C(F)(C(F)(F)C(C(C(=C)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
• InChI: InChI=1S/C7H3F11/c1-2(8)4(11,12)6(15,16)7(17,18)5(13,14)3(9)10/h3H,1H2
• InChIKey: TZMIOVLJHRHMEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-ene
• IUPAC Traditional name: 2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-ene
• Synonyms: 2,3,3,4,4,5,5,6,6,7,7-Undecafluorohept-1-ene; 1H,1H,7H-Perfluorohept-1-ene 98%

Database IDs

• CAS Number: 94228-81-6
• MDL Number: MFCD00153238
• PubChem SID: 162085105
• PubChem CID: 2776137

CALCULATED PROPERTIES

• Acid pKa: 19.786564
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9471018
• LogD (pH = 7.4): 3.9471018
• Log P: 3.9471018
• Molar Refractivity: 34.4919 cm^3
• Polarizability: 13.214037 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant