Molecule

ID:8105

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₃O
Molecular Mass
126.0771096
Exact Mass
126.02924944
Charge
0
InChI
InChI=1S/C4H5F3O/c1-2-3(8-2)4(5,6)7/h2-3H,1H3
InChIKey
CHQUINRDKAWANM-UHFFFAOYSA-N
Canonic Smiles
CC1OC1C(F)(F)F
Isomeric Smiles
C1(C(O1)C(F)(F)F)C
Calculated Properties
JChem
Acid pKa
19.720606
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3844628
LogD (pH = 7.4)
1.3844628
Log P
1.3844628
Molar Refractivity
20.5826
Polarizability
7.82261
Polar Surface Area
12.53
Rotatable Bonds
1
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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