Molecule

ID:13755

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄F₂O₂
Molecular Mass
192.2030664
Exact Mass
192.09618613
Charge
0
InChI
InChI=1S/C9H14F2O2/c1-2-13-8(12)7-3-5-9(10,11)6-4-7/h7H,2-6H2,1H3
InChIKey
HZZDWLBBNSDYQM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCC(CC1)(F)F
Isomeric Smiles
C1(CCC(CC1)(F)F)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8797147
LogD (pH = 7.4)
1.8797147
Log P
1.8797147
Molar Refractivity
43.9594
Polarizability
16.93202
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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