Molecule

ID:8933

General Information
Structure
MolImage
Molecular Formula
C₆F₁₂O₂
Molecular Mass
332.0438384
Exact Mass
331.97066788
Charge
0
InChI
InChI=1S/C6F12O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
InChIKey
BCLQALQSEBVVAD-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(C(C(OC(C(=O)F)(F)C(F)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.242039
LogD (pH = 7.4)
4.242039
Log P
4.242039
Molar Refractivity
34.3607
Polarizability
13.240793
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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