Molecule

ID:100109

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₉O₂
Molecular Mass
266.0617488
Exact Mass
265.99893332
Charge
0
InChI
InChI=1S/C5H3F9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h1,15-16H
InChIKey
OKBXLDZUHBWJBK-UHFFFAOYSA-N
Canonic Smiles
OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
Isomeric Smiles
OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
Calculated Properties
JChem
Acid pKa
9.522251
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1741822
LogD (pH = 7.4)
2.1709614
Log P
2.1742234
Molar Refractivity
28.7453
Polarizability
11.532404
Polar Surface Area
40.46
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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