Molecule

ID:32103

General Information
Structure
Molecular Formula
C₉H₉F₃
Molecular Mass
174.1629696
Exact Mass
174.06563495
Charge
0
InChI
InChI=1S/C9H9F3/c1-6-3-4-7(5-8(6)10)9(2,11)12/h3-5H,1-2H3
InChIKey
YHDDLAXSGOTLOO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1F)C(F)(F)C
Isomeric Smiles
c1c(cc(c(c1)C)F)C(C)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2665198
LogD (pH = 7.4)
3.2665198
Log P
3.2665198
Molar Refractivity
41.4214
Polarizability
14.973271
Polar Surface Area
0.0
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
No Data Available
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Molecule Details
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References
Bioactivity
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