Molecule

ID:97615

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄F₂O₂
Molecular Mass
180.1923664
Exact Mass
180.09618613
Charge
0
InChI
InChI=1S/C8H14F2O2/c1-3-5-6-8(9,10)7(11)12-4-2/h3-6H2,1-2H3
InChIKey
XTUTXYBGTIFZFQ-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(=O)OCC)(F)F
Isomeric Smiles
O(C(=O)C(CCCC)(F)F)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6969976
LogD (pH = 7.4)
2.6969976
Log P
2.6969976
Molar Refractivity
40.9745
Polarizability
15.821369
Polar Surface Area
26.3
Rotatable Bonds
6
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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