Molecule

ID:97946

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₆O₂
Molecular Mass
222.0851792
Exact Mass
222.01154869
Charge
0
InChI
InChI=1S/C6H4F6O2/c1-3(7)4(13)14-2-5(8,9)6(10,11)12/h1-2H2
InChIKey
KOEWOWNPLYLJOW-UHFFFAOYSA-N
Canonic Smiles
FC(=C)C(=O)OCC(C(F)(F)F)(F)F
Isomeric Smiles
FC(=C)C(=O)OCC(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4955232
LogD (pH = 7.4)
2.4955232
Log P
2.4955232
Molar Refractivity
32.3815
Polarizability
12.085258
Polar Surface Area
26.3
Rotatable Bonds
5
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
Navigation
CAS 96250-35-0|2,2,3,3,3-Pentafluoropropyl-2'-fluoroacrylate|2,2,3,3,3-pentafluoropropyl 2-fluoroprop-2-enoate|2,2,3,3,3-pentafluoropropyl 2-fluoroprop-2-enoate | Molfinder