Molecule
ID:29815
General Information
Molecular Formula
C₁₀H₁₁F₃
Molecular Mass
188.1895496
Exact Mass
188.08128501
Charge
0
InChI
InChI=1S/C10H11F3/c1-2-7-10(12,13)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKey
WCHBEDCMTPUSAT-UHFFFAOYSA-N
Canonic Smiles
CCCC(c1ccc(cc1)F)(F)F
Isomeric Smiles
c1(ccc(cc1)F)C(CCC)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8345404
LogD (pH = 7.4)
3.8345404
Log P
3.8345404
Molar Refractivity
45.45
Polarizability
16.850597
Polar Surface Area
0.0
Rotatable Bonds
3
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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