Molecule

ID:97945

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₈O₂
Molecular Mass
272.0926856
Exact Mass
272.00835513
Charge
0
InChI
InChI=1S/C7H4F8O2/c1-3(8)4(16)17-2-5(9,10)6(11,12)7(13,14)15/h1-2H2
InChIKey
BXQDKRCRACGUPL-UHFFFAOYSA-N
Canonic Smiles
FC(=C)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(=C)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.196166
LogD (pH = 7.4)
3.196166
Log P
3.196166
Molar Refractivity
37.0495
Polarizability
13.956649
Polar Surface Area
26.3
Rotatable Bonds
6
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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