Molecule

ID:9280

General Information
Structure
MolImage
Molecular Formula
C₄H₂F₆O₂
Molecular Mass
196.0478992
Exact Mass
195.99589862
Charge
0
InChI
InChI=1S/C4H2F6O2/c5-3(6,7)1(2(11)12)4(8,9)10/h1H,(H,11,12)
InChIKey
RAEAYTICAPHWJW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(C(=O)O)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
2.2372348
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2984015
LogD (pH = 7.4)
-2.9476058
Log P
1.7490306
Molar Refractivity
23.7101
Polarizability
8.889698
Polar Surface Area
37.3
Rotatable Bonds
3
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
References
Bioactivity
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