Molecule

ID:93567

General Information
Structure
MolImage
Molecular Formula
C₈H₂F₁₂O₂
Molecular Mass
358.0811184
Exact Mass
357.98631794
Charge
0
InChI
InChI=1S/C8H2F12O2/c9-4(10,2(21)1-3(22)5(11,12)13)6(14,15)7(16,17)8(18,19)20/h1H2
InChIKey
WNIYZRDLOGYCIO-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)CC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(=O)CC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
1.2016432
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5427502
LogD (pH = 7.4)
1.5110289
Log P
4.6947193
Molar Refractivity
42.1144
Polarizability
15.877348
Polar Surface Area
34.14
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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