Molecule

ID:66079

General Information
Structure
Molecular Formula
C₁₁H₁₃F₃
Molecular Mass
202.2161296
Exact Mass
202.09693508
Charge
0
InChI
InChI=1S/C11H13F3/c1-2-3-4-9-5-7-10(8-6-9)11(12,13)14/h5-8H,2-4H2,1H3
InChIKey
BYTSRLZSSBMPSN-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)C(F)(F)F
Isomeric Smiles
C(c1ccc(cc1)CCCC)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6982217
LogD (pH = 7.4)
4.6982217
Log P
4.6982217
Molar Refractivity
50.8759
Polarizability
18.628765
Polar Surface Area
0.0
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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