Molecule
ID:97658
General Information
Molecular Formula
C₈H₁₄F₃NO
Molecular Mass
197.1980696
Exact Mass
197.10274873
Charge
0
InChI
InChI=1S/C8H14F3NO/c1-3-12(4-2)6-5-7(13)8(9,10)11/h3-6H2,1-2H3
InChIKey
SQROAMVMBJZAKH-UHFFFAOYSA-N
Canonic Smiles
CCN(CCC(=O)C(F)(F)F)CC
Isomeric Smiles
FC(F)(F)C(=O)CCN(CC)CC
Calculated Properties
JChem
Acid pKa
11.904362
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.15451
LogD (pH = 7.4)
0.4040609
Log P
2.0807357
Molar Refractivity
44.8306
Polarizability
16.456999
Polar Surface Area
20.31
Rotatable Bonds
6
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
No Data Available
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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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