Molecule

ID:97741

General Information
Structure
MolImage
Molecular Formula
C₃H₅F₃O₂
Molecular Mass
130.0658096
Exact Mass
130.02416406
Charge
0
InChI
InChI=1S/C3H5F3O2/c4-3(5,6)2(8)1-7/h2,7-8H,1H2
InChIKey
QMASYWGIMXQPEJ-UHFFFAOYSA-N
Canonic Smiles
OCC(C(F)(F)F)O
Isomeric Smiles
OCC(C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
10.663079
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.19381875
LogD (pH = 7.4)
-0.19405244
Log P
-0.19381577
Molar Refractivity
19.6739
Polarizability
7.472073
Polar Surface Area
40.46
Rotatable Bonds
2
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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