Molecule

ID:8115

General Information
Structure
MolImage
Molecular Formula
C₅H₄F₆O₂
Molecular Mass
210.0744792
Exact Mass
210.01154869
Charge
0
InChI
InChI=1S/C5H4F6O2/c6-4(7,8)2(1-3(12)13)5(9,10)11/h2H,1H2,(H,12,13)
InChIKey
BXOJQJKUSQRUKV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(=O)(O)CC(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
2.80988
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8721974
LogD (pH = 7.4)
-1.7820948
Log P
1.7674048
Molar Refractivity
28.2106
Polarizability
10.507229
Polar Surface Area
37.3
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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