Molecule
ID:29803
General Information
Molecular Formula
C₉H₉F₃
Molecular Mass
174.1629696
Exact Mass
174.06563495
Charge
0
InChI
InChI=1S/C9H9F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h3-6H,2H2,1H3
InChIKey
IHHXYTIKYUHTQU-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1(ccc(cc1)C(F)(F)F)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8090844
LogD (pH = 7.4)
3.8090844
Log P
3.8090844
Molar Refractivity
41.6739
Polarizability
15.005617
Polar Surface Area
0.0
Rotatable Bonds
2
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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