Molecule

ID:8193

General Information
Structure
MolImage
Molecular Formula
C₇H₂F₃N
Molecular Mass
157.0926896
Exact Mass
157.01393373
Charge
0
InChI
InChI=1S/C7H2F3N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H
InChIKey
XFKYJMGXZXJYBS-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(F)c(c(c1)F)F
Isomeric Smiles
C(#N)c1cc(F)c(F)c(F)c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2574477
LogD (pH = 7.4)
2.2574477
Log P
2.2574477
Molar Refractivity
32.4288
Polarizability
11.488888
Polar Surface Area
23.79
Rotatable Bonds
0
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
Navigation
CAS 134227-45-5|3,4,5-trifluorobenzonitrile|3,4,5-trifluorobenzonitrile|3,4,5-Trifluorobenzonitrile|3,4,5-Trifluorobenzonitrile 99%|3,4,5-Trifluorobenzonitrile|3,4,5-三氟苯腈|3,4,5-三氟苯甲腈 | Molfinder