Molecule

ID:97155

General Information
Structure
Molecular Formula
C₈H₁₃ClF₃N
Molecular Mass
215.6437296
Exact Mass
215.06886176
Charge
0
InChI
InChI=1S/C8H13ClF3N/c1-7(2,3)13-5-4-6(9)8(10,11)12/h4,13H,5H2,1-3H3
InChIKey
AWOMKEMOMPLPIC-UHFFFAOYSA-N
Canonic Smiles
Cl/C(=C\CNC(C)(C)C)/C(F)(F)F
Isomeric Smiles
N(C(C)(C)C)C/C=C(/C(F)(F)F)\Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.53136027
LogD (pH = 7.4)
0.79163474
Log P
2.580156
Molar Refractivity
48.9839
Polarizability
17.969002
Polar Surface Area
12.03
Rotatable Bonds
4
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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