Molecule

ID:51384

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁F₃O
Molecular Mass
168.1568496
Exact Mass
168.07619963
Charge
0
InChI
InChI=1S/C7H11F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6,11H,1-4H2
InChIKey
WGZGFRDYYXKLRB-UHFFFAOYSA-N
Canonic Smiles
OC1CCCC(C1)C(F)(F)F
Isomeric Smiles
C1(CC(CCC1)C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
15.236982
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8450068
LogD (pH = 7.4)
1.8450068
Log P
1.8450068
Molar Refractivity
34.682
Polarizability
13.002458
Polar Surface Area
20.23
Rotatable Bonds
1
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
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References
Bioactivity
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