Molecule

ID:98445

General Information
Structure
Molecular Formula
C₈H₉F₅O₂
Molecular Mass
232.147876
Exact Mass
232.05227063
Charge
0
InChI
InChI=1S/C8H9F5O2/c1-7(2,3)6(14)15-4(5(9)10)8(11,12)13/h1-3H3
InChIKey
KHVGJDBCCPHABS-UHFFFAOYSA-N
Canonic Smiles
FC(=C(C(F)(F)F)OC(=O)C(C)(C)C)F
Isomeric Smiles
O(C(=O)C(C)(C)C)C(=C(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0765367
LogD (pH = 7.4)
3.0765367
Log P
3.0765367
Molar Refractivity
52.4576
Polarizability
15.446846
Polar Surface Area
26.3
Rotatable Bonds
4
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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