Molecule

ID:6552

General Information
Structure
Molecular Formula
C₇H₈F₆O₂
Molecular Mass
238.1276392
Exact Mass
238.04284882
Charge
0
InChI
InChI=1S/C7H8F6O2/c1-2-15-5(14)3-4(6(8,9)10)7(11,12)13/h4H,2-3H2,1H3
InChIKey
YFOXNPBIIPXUCG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(C(CC(=O)OCC)C(F)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
12.6331215
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2005553
LogD (pH = 7.4)
2.2005527
Log P
2.2005553
Molar Refractivity
37.7283
Polarizability
14.025283
Polar Surface Area
26.3
Rotatable Bonds
6
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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