Molecule

ID:8487

General Information
Structure
MolImage
Molecular Formula
C₄H₃F₃O₂
Molecular Mass
140.0606296
Exact Mass
140.008514
Charge
0
InChI
InChI=1S/C4H3F3O2/c1-9-4(8)2(5)3(6)7/h1H3
InChIKey
LOYYAPWQNHOYQA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=C(F)F)F
Isomeric Smiles
O=C(OC)C(=C(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0189341
LogD (pH = 7.4)
1.0189341
Log P
1.0189341
Molar Refractivity
33.393
Polarizability
8.488908
Polar Surface Area
26.3
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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