Molecule

ID:8130

General Information
Structure
MolImage
Molecular Formula
C₃H₄F₂O₂
Molecular Mass
110.0594664
Exact Mass
110.01793581
Charge
0
InChI
InChI=1S/C3H4F2O2/c1-7-3(6)2(4)5/h2H,1H3
InChIKey
CSSYKHYGURSRAZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(F)F
Isomeric Smiles
O(C)C(=O)C(F)F
Calculated Properties
JChem
Acid pKa
18.015543
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.3372223
LogD (pH = 7.4)
0.3372223
Log P
0.3372223
Molar Refractivity
17.5516
Polarizability
6.966589
Polar Surface Area
26.3
Rotatable Bonds
2
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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