Molecule

ID:8204

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₃O
Molecular Mass
126.0771096
Exact Mass
126.02924944
Charge
0
InChI
InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h3H,1-2H2
InChIKey
SCJCDNUXDWFVFI-UHFFFAOYSA-N
Canonic Smiles
O=CCCC(F)(F)F
Isomeric Smiles
O=CCCC(F)(F)F
Calculated Properties
JChem
Acid pKa
8.843644
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9531074
LogD (pH = 7.4)
0.93795276
Log P
0.9533041
Molar Refractivity
21.7295
Polarizability
7.9060545
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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