Molecule

ID:12021

General Information
Structure
MolImage
Molecular Formula
C₅H₇F₃O₂
Molecular Mass
156.1030896
Exact Mass
156.03981412
Charge
0
InChI
InChI=1S/C5H7F3O2/c1-10-4(9)2-3-5(6,7)8/h2-3H2,1H3
InChIKey
RVNWLMWNUJPCQD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCC(F)(F)F
Isomeric Smiles
C(=O)(CCC(F)(F)F)OC
Calculated Properties
JChem
Acid pKa
19.205187
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2578144
LogD (pH = 7.4)
1.2578144
Log P
1.2578144
Molar Refractivity
27.424
Polarizability
10.453255
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
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References
Bioactivity
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