Molecule

ID:98271

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅ClF₃NO₂
Molecular Mass
249.6584096
Exact Mass
249.07434107
Charge
0
InChI
InChI=1S/C8H14F3NO2.ClH/c1-7(2,3)14-6(13)5(12)4-8(9,10)11;/h5H,4,12H2,1-3H3;1H
InChIKey
QHQXIAWIMUFDBR-UHFFFAOYSA-N
Canonic Smiles
O=C(C(CC(F)(F)F)N)OC(C)(C)C.Cl
Isomeric Smiles
NC(C(=O)OC(C)(C)C)CC(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5423924
LogD (pH = 7.4)
0.90025765
Log P
1.0869895
Molar Refractivity
44.2253
Polarizability
17.24503
Polar Surface Area
52.32
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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