Molecule

ID:34670

General Information
Structure
MolImage
Molecular Formula
C₅H₂F₈O
Molecular Mass
230.0560056
Exact Mass
229.99779044
Charge
0
InChI
InChI=1S/C5H2F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h1-2H
InChIKey
BQFRALWVZATVGY-UHFFFAOYSA-N
Canonic Smiles
O=CC(C(C(C(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(F)F)(F)F)(C(C=O)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
19.782894
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3635342
LogD (pH = 7.4)
2.3635342
Log P
2.3635342
Molar Refractivity
25.8428
Polarizability
10.129264
Polar Surface Area
17.07
Rotatable Bonds
4
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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