Molecule

ID:98227

General Information
Structure
MolImage
Molecular Formula
C₅H₄F₆O₂
Molecular Mass
210.0744792
Exact Mass
210.01154869
Charge
0
InChI
InChI=1S/C5H4F6O2/c1-13-3(12)2(4(6,7)8)5(9,10)11/h2H,1H3
InChIKey
JGGBVFLRNNDHCM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(F)(F)F)C(F)(F)F
Isomeric Smiles
O=C(OC)C(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
11.041628
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8949234
LogD (pH = 7.4)
1.8948263
Log P
1.8949246
Molar Refractivity
28.4792
Polarizability
10.686238
Polar Surface Area
26.3
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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