Molecule

ID:66156

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁F₃N₂
Molecular Mass
168.1601496
Exact Mass
168.08743302
Charge
0
InChI
InChI=1S/C6H11F3N2/c1-4-2-11-5(3-10-4)6(7,8)9/h4-5,10-11H,2-3H2,1H3
InChIKey
XXGGQLZIMGIVTM-UHFFFAOYSA-N
Canonic Smiles
CC1NCC(NC1)C(F)(F)F
Isomeric Smiles
N1C(CNC(C1)C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.8862766
LogD (pH = 7.4)
-0.15707295
Log P
0.7026315
Molar Refractivity
34.9879
Polarizability
13.508926
Polar Surface Area
24.06
Rotatable Bonds
1
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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