Molecule

ID:93039

General Information
Structure
Molecular Formula
C₆H₁₁F₃O₃
Molecular Mass
188.1449496
Exact Mass
188.06602887
Charge
0
InChI
InChI=1S/C6H11F3O3/c1-11-5(12-2,3-4-10)6(7,8)9/h10H,3-4H2,1-2H3
InChIKey
HRPKOTYDSMDAJA-UHFFFAOYSA-N
Canonic Smiles
OCCC(C(F)(F)F)(OC)OC
Isomeric Smiles
OCCC(OC)(OC)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.781795
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1730564
LogD (pH = 7.4)
1.1730564
Log P
1.1730564
Molar Refractivity
35.0954
Polarizability
13.519967
Polar Surface Area
38.69
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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