Molecule

ID:98208

General Information
Structure
MolImage
Molecular Formula
C₄H₄F₄O₂
Molecular Mass
160.0669728
Exact Mass
160.01474225
Charge
0
InChI
InChI=1S/C4H4F4O2/c1-10-3(9)2(5)4(6,7)8/h2H,1H3
InChIKey
YPGCUXBNTDXTKF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(F)(F)F)F
Isomeric Smiles
O(C(=O)C(C(F)(F)F)F)C
Calculated Properties
JChem
Acid pKa
14.173213
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1634446
LogD (pH = 7.4)
1.1634445
Log P
1.1634446
Molar Refractivity
22.6183
Polarizability
8.806241
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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