Molecule

ID:9126

General Information
Structure
MolImage
Molecular Formula
C₄H₆F₂O₂
Molecular Mass
124.0860464
Exact Mass
124.03358587
Charge
0
InChI
InChI=1S/C4H6F2O2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3
InChIKey
PFJLHSIZFYNAHH-UHFFFAOYSA-N
Canonic Smiles
FC(COC(=O)C)F
Isomeric Smiles
O(C(=O)C)CC(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.3888841
LogD (pH = 7.4)
0.3888841
Log P
0.3888841
Molar Refractivity
21.9732
Polarizability
8.697917
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
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Molecule Details
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References
Bioactivity
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