Molecule

ID:64048

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀F₂O₂
Molecular Mass
164.1499064
Exact Mass
164.064886
Charge
0
InChI
InChI=1S/C7H10F2O2/c1-11-6-4-7(8,9)3-2-5(6)10/h6H,2-4H2,1H3
InChIKey
QVSTZWZQKNVRHW-UHFFFAOYSA-N
Canonic Smiles
COC1CC(F)(F)CCC1=O
Isomeric Smiles
C1C(=O)C(CC(C1)(F)F)OC
Calculated Properties
JChem
Acid pKa
14.568569
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1133618
LogD (pH = 7.4)
1.1133618
Log P
1.1133618
Molar Refractivity
34.519
Polarizability
13.339278
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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