Molecule

ID:8263

General Information
Structure
Molecular Formula
C₅H₃F₉O
Molecular Mass
250.0623488
Exact Mass
250.0040187
Charge
0
InChI
InChI=1S/C5H3F9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h15H,1H2
InChIKey
PJRIQFXPYMVWOU-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
Calculated Properties
JChem
Acid pKa
12.620877
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5384474
LogD (pH = 7.4)
2.5384448
Log P
2.5384474
Molar Refractivity
27.7154
Polarizability
10.752564
Polar Surface Area
20.23
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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