Molecule
ID:11911
General Information
Molecular Formula
C₃H₄F₂O
Molecular Mass
94.0600664
Exact Mass
94.02302119
Charge
0
InChI
InChI=1S/C3H4F2O/c1-2(6)3(4)5/h3H,1H3
InChIKey
XHILZHAQBOLGFD-UHFFFAOYSA-N
Canonic Smiles
FC(C(=O)C)F
Isomeric Smiles
C(C(=O)C)(F)F
Calculated Properties
JChem
Acid pKa
14.0100565
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.5209538
LogD (pH = 7.4)
0.52095366
Log P
0.5209538
Molar Refractivity
16.3336
Polarizability
6.142618
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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