Molecule

ID:66069

General Information
Structure
Molecular Formula
C₁₃H₁₈F₂
Molecular Mass
212.2788264
Exact Mass
212.13765702
Charge
0
InChI
InChI=1S/C13H18F2/c1-3-4-5-6-11-7-9-12(10-8-11)13(2,14)15/h7-10H,3-6H2,1-2H3
InChIKey
SKKXBLJNRGRDOD-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)C(F)(F)C
Isomeric Smiles
c1(ccc(cc1)C(F)(F)C)CCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9020925
LogD (pH = 7.4)
4.9020925
Log P
4.9020925
Molar Refractivity
59.609
Polarizability
22.503925
Polar Surface Area
0.0
Rotatable Bonds
5
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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