Molecule

ID:8225

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₃O₂
Molecular Mass
142.0765096
Exact Mass
142.02416406
Charge
0
InChI
InChI=1S/C4H5F3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3
InChIKey
ZOWSJJBOQDKOHI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCC(F)(F)F
Isomeric Smiles
O(C(=O)C)CC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8776446
LogD (pH = 7.4)
0.8776446
Log P
0.8776446
Molar Refractivity
22.8629
Polarizability
8.73273
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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