Molecule

ID:8224

General Information
Structure
MolImage
Molecular Formula
C₆H₇F₃O₂
Molecular Mass
168.1137896
Exact Mass
168.03981412
Charge
0
InChI
InChI=1S/C6H7F3O2/c1-4(2)5(10)11-3-6(7,8)9/h1,3H2,2H3
InChIKey
QTKPMCIBUROOGY-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C)C)OCC(F)(F)F
Isomeric Smiles
C(=O)(OCC(F)(F)F)C(=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2628214
LogD (pH = 7.4)
2.2628214
Log P
2.2628214
Molar Refractivity
31.8677
Polarizability
11.939013
Polar Surface Area
26.3
Rotatable Bonds
4
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
References
Bioactivity
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