Molecule

ID:66077

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₆
Molecular Mass
214.1077792
Exact Mass
214.02171945
Charge
0
InChI
InChI=1S/C8H4F6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h1-4H
InChIKey
XXZOEDQFGXTEAD-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccccc1C(F)(F)F)(F)F
Isomeric Smiles
c1(c(cccc1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7289429
LogD (pH = 7.4)
3.7289429
Log P
3.7289429
Molar Refractivity
38.0054
Polarizability
13.189219
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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