Molecule
ID:66099
General Information
Molecular Formula
C₉H₉F₃
Molecular Mass
174.1629696
Exact Mass
174.06563495
Charge
0
InChI
InChI=1S/C9H9F3/c1-6-3-7(2)5-8(4-6)9(10,11)12/h3-5H,1-2H3
InChIKey
VGOVHJVQCKHLTN-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(C)cc(c1)C)(F)F
Isomeric Smiles
C(c1cc(cc(c1)C)C)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.877937
LogD (pH = 7.4)
3.877937
Log P
3.877937
Molar Refractivity
42.1141
Polarizability
14.937114
Polar Surface Area
0.0
Rotatable Bonds
1
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
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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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