Molecule

ID:95102

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₉O₂
Molecular Mass
278.0724488
Exact Mass
277.99893332
Charge
0
InChI
InChI=1S/C6H3F9O2/c1-2(16)17-3(4(7,8)9,5(10,11)12)6(13,14)15/h1H3
InChIKey
FGXMSHHEWAZQQV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
O(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7713728
LogD (pH = 7.4)
2.7713728
Log P
2.7713728
Molar Refractivity
33.3229
Polarizability
12.726196
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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