Molecule

ID:97486

General Information
Structure
Molecular Formula
C₆F₁₂O₂
Molecular Mass
332.0438384
Exact Mass
331.97066788
Charge
0
InChI
InChI=1S/C6F12O2/c7-1(3(9,10)11)5(15,16)20-2(8,4(12,13)14)6(17,18)19-1
InChIKey
NCWPXDOVVTVZBC-UHFFFAOYSA-N
Canonic Smiles
FC(C1(F)OC(F)(F)C(OC1(F)F)(F)C(F)(F)F)(F)F
Isomeric Smiles
O1C(C(OC(C1(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7733464
LogD (pH = 7.4)
4.7733464
Log P
4.7733464
Molar Refractivity
33.6306
Polarizability
13.166081
Polar Surface Area
18.46
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
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Molecule Details
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References
Bioactivity
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