Molecule

ID:11927

General Information
Structure
MolImage
Molecular Formula
C₃H₅F₃O
Molecular Mass
114.0664096
Exact Mass
114.02924944
Charge
0
InChI
InChI=1S/C3H5F3O/c1-2-7-3(4,5)6/h2H2,1H3
InChIKey
ZPVFXWAIPNKSLJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(F)(F)F
Isomeric Smiles
O(CC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0701401
LogD (pH = 7.4)
2.0701401
Log P
2.0701401
Molar Refractivity
14.3682
Polarizability
6.755719
Polar Surface Area
9.23
Rotatable Bonds
2
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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