Molecule

ID:97443

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃F₃O₂
Molecular Mass
198.1828296
Exact Mass
198.08676432
Charge
0
InChI
InChI=1S/C8H13F3O2/c1-4-13-6(12)7(2,3)5-8(9,10)11/h4-5H2,1-3H3
InChIKey
FGJANYYQTMRUHY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(CC(F)(F)F)(C)C
Isomeric Smiles
O=C(C(C)(C)CC(F)(F)F)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.713623
LogD (pH = 7.4)
2.713623
Log P
2.713623
Molar Refractivity
41.2481
Polarizability
15.732852
Polar Surface Area
26.3
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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