Molecule

ID:93497

General Information
Structure
MolImage
Molecular Formula
C₆H₇F₃O₂
Molecular Mass
168.1137896
Exact Mass
168.03981412
Charge
0
InChI
InChI=1S/C6H7F3O2/c1-3-2-4(5(10)11-3)6(7,8)9/h3-4H,2H2,1H3
InChIKey
QYTOOVCITOVYEL-UHFFFAOYSA-N
Canonic Smiles
CC1CC(C(=O)O1)C(F)(F)F
Isomeric Smiles
O1C(CC(C1=O)C(F)(F)F)C
Calculated Properties
JChem
Acid pKa
17.119627
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4735397
LogD (pH = 7.4)
1.4735397
Log P
1.4735397
Molar Refractivity
30.2339
Polarizability
11.54253
Polar Surface Area
26.3
Rotatable Bonds
1
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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