Molecule

ID:93564

General Information
Structure
MolImage
Molecular Formula
C₉H₂F₁₄O₂
Molecular Mass
408.0886248
Exact Mass
407.98312438
Charge
0
InChI
InChI=1S/C9H2F14O2/c10-4(11,6(14,15)8(18,19)20)2(24)1-3(25)5(12,13)7(16,17)9(21,22)23/h1H2
InChIKey
NICYPDXBQUERJQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(F)(F)F)(F)F)(F)F)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(F)(C(=O)CC(=O)C(F)(C(C(F)(F)F)(F)F)F)C(C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
7.0440807
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.383136
LogD (pH = 7.4)
4.8815327
Log P
5.395362
Molar Refractivity
46.7824
Polarizability
17.788034
Polar Surface Area
34.14
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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