Molecule

ID:29963

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₆
Molecular Mass
214.1077792
Exact Mass
214.02171945
Charge
0
InChI
InChI=1S/C8H4F6/c9-5-1-4(3-8(12,13)14)2-6(10)7(5)11/h1-2H,3H2
InChIKey
MGZWYYBATIFNHJ-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)cc(cc1F)CC(F)(F)F
Isomeric Smiles
c1(c(c(cc(c1)CC(F)(F)F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5495033
LogD (pH = 7.4)
3.5495033
Log P
3.5495033
Molar Refractivity
37.1327
Polarizability
13.061165
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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