Molecule

ID:7746

General Information
Structure
MolImage
Molecular Formula
C₃H₅F₃O₂
Molecular Mass
130.0658096
Exact Mass
130.02416406
Charge
0
InChI
InChI=1S/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3
InChIKey
GWTBCUWZAVMAQV-UHFFFAOYSA-N
Canonic Smiles
COC(C(F)(F)F)O
Isomeric Smiles
FC(F)(F)C(O)OC
Calculated Properties
JChem
Acid pKa
8.613335
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.71508765
LogD (pH = 7.4)
0.6896561
Log P
0.71542174
Molar Refractivity
19.4925
Polarizability
7.5265026
Polar Surface Area
29.46
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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