Molecule

ID:99166

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₆O₂
Molecular Mass
222.0851792
Exact Mass
222.01154869
Charge
0
InChI
InChI=1S/C6H4F6O2/c1-3(13)14-4(6(10,11)12)2-5(7,8)9/h2H,1H3
InChIKey
AKLLQGZSSPIBMP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)O/C(=C\C(F)(F)F)/C(F)(F)F
Isomeric Smiles
FC(/C=C(\OC(=O)C)/C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8489125
LogD (pH = 7.4)
1.8489125
Log P
1.8489125
Molar Refractivity
34.2316
Polarizability
12.087451
Polar Surface Area
26.3
Rotatable Bonds
4
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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