Molecule

ID:8592

General Information
Structure
MolImage
Molecular Formula
C₄H₆F₂O₂
Molecular Mass
124.0860464
Exact Mass
124.03358587
Charge
0
InChI
InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey
GZKHDVAKKLTJPO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(F)F
Isomeric Smiles
CCOC(=O)C(F)F
Calculated Properties
JChem
Acid pKa
18.015343
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6940303
LogD (pH = 7.4)
0.6940303
Log P
0.6940303
Molar Refractivity
22.3002
Polarizability
8.699317
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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