Molecule
ID:12090
General Information
Molecular Formula
C₈F₁₆O₂
Molecular Mass
432.0588512
Exact Mass
431.96428076
Charge
0
InChI
InChI=1S/C8F16O2/c9-1(10)2(11)25-8(23,24)4(14,6(18,19)20)26-7(21,22)3(12,13)5(15,16)17
InChIKey
RJBJXVAPYONTFE-UHFFFAOYSA-N
Canonic Smiles
FC(=C(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F
Isomeric Smiles
O(C(=C(F)F)F)C(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.222747
LogD (pH = 7.4)
6.222747
Log P
6.222747
Molar Refractivity
65.548
Polarizability
17.328768
Polar Surface Area
18.46
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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