Molecule

ID:10413

General Information
Structure
MolImage
Molecular Formula
C₃H₄F₂O₂
Molecular Mass
110.0594664
Exact Mass
110.01793581
Charge
0
InChI
InChI=1S/C3H4F2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
InChIKey
PMWGIVRHUIAIII-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(F)(F)C
Isomeric Smiles
CC(C(=O)O)(F)F
Calculated Properties
JChem
Acid pKa
2.3781245
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3105261
LogD (pH = 7.4)
-2.847431
Log P
0.66828513
Molar Refractivity
17.786
Polarizability
6.7709537
Polar Surface Area
37.3
Rotatable Bonds
1
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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