Molecule

ID:8653

General Information
Structure
Molecular Formula
C₂H₃F₃O
Molecular Mass
100.0398296
Exact Mass
100.01359938
Charge
0
InChI
InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3
InChIKey
JRHMNRMPVRXNOS-UHFFFAOYSA-N
Canonic Smiles
COC(F)(F)F
Isomeric Smiles
O(C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7133323
LogD (pH = 7.4)
1.7133323
Log P
1.7133323
Molar Refractivity
9.6196
Polarizability
5.0885205
Polar Surface Area
9.23
Rotatable Bonds
1
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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