Molecule

ID:10601

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₃O
Molecular Mass
126.0771096
Exact Mass
126.02924944
Charge
0
InChI
InChI=1S/C4H5F3O/c1-2-8-4(7)3(5)6/h2H2,1H3
InChIKey
OTKFYPFFYGHATK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=C(F)F)F
Isomeric Smiles
C(=C(OCC)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6890036
LogD (pH = 7.4)
1.6890036
Log P
1.6890036
Molar Refractivity
42.7981
Polarizability
8.21883
Polar Surface Area
9.23
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
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References
Bioactivity
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