Molecule

ID:18093

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₃O₂
Molecular Mass
166.0979096
Exact Mass
166.02416406
Charge
0
InChI
InChI=1S/C6H5F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2H2,1H3
InChIKey
SFDRHPQGYUYYNX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C#CC(F)(F)F
Isomeric Smiles
C(=O)(C#CC(F)(F)F)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1188622
LogD (pH = 7.4)
2.1188622
Log P
2.1188622
Molar Refractivity
31.735
Polarizability
11.18368
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation