Molecule

ID:8293

General Information
Structure
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Molecular Formula
C₃H₅F₃O
Molecular Mass
114.0664096
Exact Mass
114.02924944
Charge
0
InChI
InChI=1S/C3H5F3O/c4-3(5,6)1-2-7/h7H,1-2H2
InChIKey
HDBGBTNNPRCVND-UHFFFAOYSA-N
Canonic Smiles
OCCC(F)(F)F
Isomeric Smiles
C(O)CC(F)(F)F
Calculated Properties
JChem
Acid pKa
15.675578
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.49403936
LogD (pH = 7.4)
0.49403936
Log P
0.49403936
Molar Refractivity
18.1632
Polarizability
6.6954145
Polar Surface Area
20.23
Rotatable Bonds
2
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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