Molecule

ID:98333

General Information
Structure
MolImage
Molecular Formula
C₅H₄F₈O
Molecular Mass
232.0718856
Exact Mass
232.01344051
Charge
0
InChI
InChI=1S/C5H4F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2
InChIKey
JUGSKHLZINSXPQ-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
OCC(C(F)(F)C(F)(F)C(F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.621109
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0496867
LogD (pH = 7.4)
2.0496843
Log P
2.049687
Molar Refractivity
26.8257
Polarizability
10.584523
Polar Surface Area
20.23
Rotatable Bonds
4
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
References
Bioactivity
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