Molecule

ID:7836

General Information
Structure
MolImage
Molecular Formula
C₄H₂F₄O₃
Molecular Mass
174.0504928
Exact Mass
173.9940068
Charge
0
InChI
InChI=1S/C4H2F4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
InChIKey
IYXUFOCLMOXQSL-UHFFFAOYSA-N
Canonic Smiles
FC(C(=O)OC(=O)C(F)F)F
Isomeric Smiles
C(=O)(OC(=O)C(F)F)C(F)F
Calculated Properties
JChem
Acid pKa
16.705326
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7501618
LogD (pH = 7.4)
0.7501618
Log P
0.51682854
Molar Refractivity
22.3596
Polarizability
9.102853
Polar Surface Area
43.37
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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