Molecule

ID:8201

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₃O
Molecular Mass
126.0771096
Exact Mass
126.02924944
Charge
0
InChI
InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h1-2,8H,3H2/b2-1+
InChIKey
UUTWQLLIVDODPQ-OWOJBTEDSA-N
Canonic Smiles
OC/C=C/C(F)(F)F
Isomeric Smiles
C(=C\C(F)(F)F)/CO
Calculated Properties
JChem
Acid pKa
15.595314
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.96373487
LogD (pH = 7.4)
0.96373487
Log P
0.96373487
Molar Refractivity
24.03
Polarizability
8.144987
Polar Surface Area
20.23
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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