Molecule

ID:66103

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄F₂
Molecular Mass
184.2256664
Exact Mass
184.10635689
Charge
0
InChI
InChI=1S/C11H14F2/c1-3-4-9-5-7-10(8-6-9)11(2,12)13/h5-8H,3-4H2,1-2H3
InChIKey
YUHCVHUCXRTLIC-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)C(F)(F)C
Isomeric Smiles
c1(ccc(cc1)CCC)C(F)(F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.012955
LogD (pH = 7.4)
4.012955
Log P
4.012955
Molar Refractivity
50.407
Polarizability
18.834246
Polar Surface Area
0.0
Rotatable Bonds
3
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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