Molecule

ID:15293

General Information
Structure
MolImage
Molecular Formula
C₄H₇F₃O₂
Molecular Mass
144.0923896
Exact Mass
144.03981412
Charge
0
InChI
InChI=1S/C4H7F3O2/c1-8-3(9-2)4(5,6)7/h3H,1-2H3
InChIKey
CXKDYOYYYNKCRV-UHFFFAOYSA-N
Canonic Smiles
COC(C(F)(F)F)OC
Isomeric Smiles
C(C(F)(F)F)(OC)OC
Calculated Properties
JChem
Acid pKa
19.594452
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3585483
LogD (pH = 7.4)
1.3585483
Log P
1.3585483
Molar Refractivity
24.2437
Polarizability
9.284625
Polar Surface Area
18.46
Rotatable Bonds
3
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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