Molecule

ID:8203

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₃O₂
Molecular Mass
142.0765096
Exact Mass
142.02416406
Charge
0
InChI
InChI=1S/C4H5F3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)
InChIKey
WTUCTMYLCMVYEX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(F)(F)F
Isomeric Smiles
C(=O)(CCC(F)(F)F)O
Calculated Properties
JChem
Acid pKa
3.4143677
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9619082
LogD (pH = 7.4)
-2.2873187
Log P
1.1119204
Molar Refractivity
22.6549
Polarizability
8.538204
Polar Surface Area
37.3
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
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Molecule Details
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References
Bioactivity
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