Molecule

ID:98986

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀F₆O₂
Molecular Mass
252.1542192
Exact Mass
252.05849888
Charge
0
InChI
InChI=1S/C8H10F6O2/c9-7(10,11)3-1-5-16-6(15)2-4-8(12,13)14/h1-5H2
InChIKey
OOKAMCOYHHGELK-UHFFFAOYSA-N
Canonic Smiles
O=C(CCC(F)(F)F)OCCCC(F)(F)F
Isomeric Smiles
FC(F)(F)CCC(=O)OCCCC(F)(F)F
Calculated Properties
JChem
Acid pKa
19.204983
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.771875
LogD (pH = 7.4)
2.771875
Log P
2.771875
Molar Refractivity
42.0809
Polarizability
15.727866
Polar Surface Area
26.3
Rotatable Bonds
8
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
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References
Bioactivity
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