Molecule

ID:18098

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈F₂O₄
Molecular Mass
252.2550264
Exact Mass
252.1173155
Charge
0
InChI
InChI=1S/C11H18F2O4/c1-3-16-9(14)5-7-11(12,13)8-6-10(15)17-4-2/h3-8H2,1-2H3
InChIKey
XUOBBVMKXUPPEW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCC(CCC(=O)OCC)(F)F
Isomeric Smiles
C(=O)(CCC(CCC(=O)OCC)(F)F)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4274832
LogD (pH = 7.4)
1.4274832
Log P
1.4274832
Molar Refractivity
56.9712
Polarizability
22.187193
Polar Surface Area
52.6
Rotatable Bonds
10
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
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