Molecule

ID:97342

General Information
Structure
Molecular Formula
C₄H₄F₈O₄
Molecular Mass
268.0593856
Exact Mass
267.99818437
Charge
0
InChI
InChI=1S/C3H2F6O2.CH2F2O2/c4-1(10,2(5,6)7)3(8,9)11;2-1(3,4)5/h10-11H;4-5H
InChIKey
SQSFKAYYBLZEBX-UHFFFAOYSA-N
Canonic Smiles
OC(C(F)(F)F)(C(F)(F)O)F.OC(F)(F)O
Isomeric Smiles
FC(F)(O)C(F)(O)C(F)(F)F.FC(F)(O)O
Calculated Properties
JChem
Acid pKa
4.296165
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.15666315
LogD (pH = 7.4)
-3.0947335
Log P
1.2249697
Molar Refractivity
20.3254
Polarizability
7.8763204
Polar Surface Area
40.46
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
References
Bioactivity
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