Molecule

ID:11908

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀F₄O₄
Molecular Mass
246.1562128
Exact Mass
246.05152168
Charge
0
InChI
InChI=1S/C8H10F4O4/c1-3-15-5(13)7(9,10)8(11,12)6(14)16-4-2/h3-4H2,1-2H3
InChIKey
BLZSSBPZHBFNBN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C(=O)OCC)(F)F)(F)F
Isomeric Smiles
O=C(OCC)C(C(C(=O)OCC)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.142938
LogD (pH = 7.4)
2.142938
Log P
2.142938
Molar Refractivity
42.81
Polarizability
16.749979
Polar Surface Area
52.6
Rotatable Bonds
7
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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