Molecule

ID:129995

General Information
Structure
MolImage
Molecular Formula
C₂F₃N
Molecular Mass
95.0233096
Exact Mass
94.99828367
Charge
0
InChI
InChI=1S/C2F3N/c1-6-2(3,4)5
InChIKey
LKHQVUSYAMWNQZ-UHFFFAOYSA-N
Canonic Smiles
FC([N+]#[C-])(F)F
Isomeric Smiles
[C-]#[N+]C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.26208
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.36962616
LogD (pH = 7.4)
-0.36962613
Log P
-0.36962616
Molar Refractivity
18.1187
Polarizability
4.6602507
Polar Surface Area
4.36
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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