Molecule

ID:99229

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂F₃NO₂
Molecular Mass
211.1815896
Exact Mass
211.08201329
Charge
0
InChI
InChI=1S/C8H12F3NO2/c1-3-12(4-2)7(14)5-6(13)8(9,10)11/h3-5H2,1-2H3
InChIKey
WBGSWMBNIGJJOS-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)CC(=O)C(F)(F)F)CC
Isomeric Smiles
O=C(CC(=O)C(F)(F)F)N(CC)CC
Calculated Properties
JChem
Acid pKa
7.011961
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.471712
LogD (pH = 7.4)
0.94853735
Log P
1.4848623
Molar Refractivity
44.6619
Polarizability
16.331419
Polar Surface Area
37.38
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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