Molecule

ID:99008

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁F₃O₃
Molecular Mass
200.1556496
Exact Mass
200.06602887
Charge
0
InChI
InChI=1S/C7H11F3O3/c1-3-13-5(11)4-6(2,12)7(8,9)10/h12H,3-4H2,1-2H3
InChIKey
IYEGWOWSOYOERF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(C(F)(F)F)(O)C
Isomeric Smiles
O=C(CC(C(F)(F)F)(O)C)OCC
Calculated Properties
JChem
Acid pKa
11.138725
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.99455994
LogD (pH = 7.4)
0.9944818
Log P
0.99456096
Molar Refractivity
38.3215
Polarizability
14.705507
Polar Surface Area
46.53
Rotatable Bonds
5
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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