Molecule

ID:12096

General Information
Structure
MolImage
Molecular Formula
C₈F₁₆
Molecular Mass
400.0600512
Exact Mass
399.97445152
Charge
0
InChI
InChI=1S/C8F16/c9-1(2(10)4(13,14)15)3(11,12)5(16,17)6(18,19)7(20,21)8(22,23)24/b2-1+
InChIKey
RGBFMLVTZCWFSL-OWOJBTEDSA-N
Canonic Smiles
F/C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)/C(F)(F)F
Isomeric Smiles
C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)(/C(F)(F)F)\F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9623446
LogD (pH = 7.4)
4.9623446
Log P
4.9623446
Molar Refractivity
42.1154
Polarizability
15.668534
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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