Molecule

ID:51414

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₆
Molecular Mass
214.1077792
Exact Mass
214.02171945
Charge
0
InChI
InChI=1S/C8H4F6/c9-4-1-2-5(7(10)11)6(3-4)8(12,13)14/h1-3,7H
InChIKey
XERQRPVAOCQNGD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(F)(F)F)C(F)F
Isomeric Smiles
c1(c(cc(cc1)F)C(F)(F)F)C(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3828843
LogD (pH = 7.4)
3.3828843
Log P
3.3828843
Molar Refractivity
37.3321
Polarizability
13.159122
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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