Molecule

ID:8219

General Information
Structure
MolImage
Molecular Formula
C₆H₉F₃O₂
Molecular Mass
170.1296696
Exact Mass
170.05546419
Charge
0
InChI
InChI=1S/C6H9F3O2/c1-2-3-5(10)11-4-6(7,8)9/h2-4H2,1H3
InChIKey
DEXWRCYOMLUJRF-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)OCC(F)(F)F
Isomeric Smiles
C(=O)(OCC(F)(F)F)CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0227492
LogD (pH = 7.4)
2.0227492
Log P
2.0227492
Molar Refractivity
32.0908
Polarizability
12.197902
Polar Surface Area
26.3
Rotatable Bonds
5
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
No Data Available
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Molecule Details
References
Bioactivity
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