Molecule
ID:98361
General Information
Molecular Formula
C₅H₇F₃O₂
Molecular Mass
156.1030896
Exact Mass
156.03981412
Charge
0
InChI
InChI=1S/C5H7F3O2/c1-3(5(6,7)8)10-4(2)9/h3H,1-2H3
InChIKey
MAYNRHVBTKYGSD-UHFFFAOYSA-N
Canonic Smiles
CC(C(F)(F)F)OC(=O)C
Isomeric Smiles
O(C(=O)C)C(C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2942196
LogD (pH = 7.4)
1.2942196
Log P
1.2942196
Molar Refractivity
27.2817
Polarizability
10.453935
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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