Molecule

ID:8079

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₇O₂
Molecular Mass
228.0649424
Exact Mass
228.00212688
Charge
0
InChI
InChI=1S/C5H3F7O2/c6-2(7)4(8,9)1-14-3(13)5(10,11)12/h2H,1H2
InChIKey
QWXXHRSQCJGYQR-UHFFFAOYSA-N
Canonic Smiles
FC(C(COC(=O)C(F)(F)F)(F)F)F
Isomeric Smiles
O=C(OCC(C(F)F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2218554
LogD (pH = 7.4)
2.2218554
Log P
2.2218554
Molar Refractivity
27.6514
Polarizability
10.812772
Polar Surface Area
26.3
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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