Molecule

ID:9471

General Information
Structure
MolImage
Molecular Formula
C₁₁H₃F₁₉O₂
Molecular Mass
528.1099808
Exact Mass
527.98296552
Charge
0
InChI
InChI=1S/C11H3F19O2/c1-32-2(31)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h1H3
InChIKey
QJFHNYDPNSFJMR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.660019
LogD (pH = 7.4)
6.660019
Log P
6.660019
Molar Refractivity
55.767
Polarizability
22.274954
Polar Surface Area
26.3
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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