Molecule

ID:19134

General Information
Structure
MolImage
Molecular Formula
C₅H₈F₂O₂
Molecular Mass
138.1126264
Exact Mass
138.04923594
Charge
0
InChI
InChI=1S/C5H8F2O2/c1-3-9-4(8)5(2,6)7/h3H2,1-2H3
InChIKey
ISVLDAIKRGXNCZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(F)(F)C
Isomeric Smiles
C(=O)(C(C)(F)F)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1709871
LogD (pH = 7.4)
1.1709871
Log P
1.1709871
Molar Refractivity
27.3037
Polarizability
10.457976
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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