Molecule

ID:100425

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₈O₃
Molecular Mass
274.0655056
Exact Mass
273.98761968
Charge
0
InChI
InChI=1S/C6H2F8O3/c7-1(8)5(11,12)3(15)17-4(16)6(13,14)2(9)10/h1-2H
InChIKey
LBGWXMJBOPPNMV-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(=O)OC(=O)C(C(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(C(=O)OC(=O)C(C(F)F)(F)F)(C(F)F)F
Calculated Properties
JChem
Acid pKa
19.198805
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3759024
LogD (pH = 7.4)
2.3759024
Log P
2.3759024
Molar Refractivity
31.659
Polarizability
12.88319
Polar Surface Area
43.37
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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