Molecule
ID:12164
General Information
Molecular Formula
C₄H₅F₃O₂
Molecular Mass
142.0765096
Exact Mass
142.02416406
Charge
0
InChI
InChI=1S/C4H5F3O2/c5-4(6,7)3-8-1-2-9-3/h3H,1-2H2
InChIKey
SKIIHLUNHCIQAF-UHFFFAOYSA-N
Canonic Smiles
FC(C1OCCO1)(F)F
Isomeric Smiles
O1C(OCC1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
19.583794
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1870233
LogD (pH = 7.4)
1.1870233
Log P
1.1870233
Molar Refractivity
22.2747
Polarizability
8.649939
Polar Surface Area
18.46
Rotatable Bonds
1
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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