Molecule
ID:57095
General Information
Molecular Formula
C₇H₈F₂O₂
Molecular Mass
162.1340264
Exact Mass
162.04923594
Charge
0
InChI
InChI=1S/C7H8F2O2/c8-7(9)6(11)3-5(10)4-1-2-4/h4,7H,1-3H2
InChIKey
UOFKQNOBCDNGOW-UHFFFAOYSA-N
Canonic Smiles
FC(C(=O)CC(=O)C1CC1)F
Isomeric Smiles
C(C(=O)CC(=O)C1CC1)(F)F
Calculated Properties
JChem
Acid pKa
7.382086
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.516947
LogD (pH = 7.4)
1.2128206
Log P
1.522604
Molar Refractivity
33.628
Polarizability
12.756968
Polar Surface Area
34.14
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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