Molecule

ID:98613

General Information
Structure
Molecular Formula
C₁₁H₁₃F₃O
Molecular Mass
218.2155296
Exact Mass
218.0918497
Charge
0
InChI
InChI=1S/C11H13F3O/c1-10(2,3)15-9-6-4-8(5-7-9)11(12,13)14/h4-7H,1-3H3
InChIKey
YXTJJRXJNYHJPU-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C(F)(F)F)(C)C
Isomeric Smiles
FC(c1ccc(cc1)OC(C)(C)C)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7473826
LogD (pH = 7.4)
3.7473826
Log P
3.7473826
Molar Refractivity
52.3005
Polarizability
19.44655
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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