Molecule

ID:117997

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁F₃N₂
Molecular Mass
168.1601496
Exact Mass
168.08743302
Charge
0
InChI
InChI=1S/C6H11F3N2/c7-6(8,9)5-11-3-1-10-2-4-11/h10H,1-5H2
InChIKey
GFPOCAYEKCWFPD-UHFFFAOYSA-N
Canonic Smiles
FC(CN1CCNCC1)(F)F
Isomeric Smiles
C(CN1CCNCC1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.506322
LogD (pH = 7.4)
-1.194549
Log P
0.60933733
Molar Refractivity
36.1936
Polarizability
13.50883
Polar Surface Area
15.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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