Molecule
ID:8082
General Information
Molecular Formula
C₅H₄F₈O
Molecular Mass
232.0718856
Exact Mass
232.01344051
Charge
0
InChI
InChI=1S/C5H4F8O/c6-2(7)4(10,11)1-14-5(12,13)3(8)9/h2-3H,1H2
InChIKey
HCBRSIIGBBDDCD-UHFFFAOYSA-N
Canonic Smiles
FC(C(OCC(C(F)F)(F)F)(F)F)F
Isomeric Smiles
O(C(C(F)F)(F)F)CC(C(F)F)(F)F
Calculated Properties
JChem
Acid pKa
18.880196
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6060023
LogD (pH = 7.4)
2.6060023
Log P
2.6060023
Molar Refractivity
27.3664
Polarizability
10.635253
Polar Surface Area
9.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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