Molecule

ID:29751

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁F₃O₂
Molecular Mass
196.1669496
Exact Mass
196.07111425
Charge
0
InChI
InChI=1S/C8H11F3O2/c1-2-13-6(12)7(4-3-5-7)8(9,10)11/h2-5H2,1H3
InChIKey
AYUISFJYNKIHDD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCC1)C(F)(F)F
Isomeric Smiles
C1(CCC1)(C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4241626
LogD (pH = 7.4)
2.4241626
Log P
2.4241626
Molar Refractivity
39.5951
Polarizability
15.060928
Polar Surface Area
26.3
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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