Chemical Properties of 1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide

1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide

InChI
InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)
InChI Key
POGQSBRIGCQNEG-UHFFFAOYSA-N
Formula
C10H8F2N4O
SMILES
NC(=O)c1cn(Cc2c(F)cccc2F)nn1
Molecular Weight1
238.20
Other Names
  • CGP 33101
  • E 2080
  • Inovelon
  • RUF 331
  • Rufinamide
  • Tox21 112267
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
logPoct/wat 0.704 Crippen Calculated Property
McVol 153.570 ml/mol McGowan Calculated Property
Inp [2077.40; 2077.40]   Show Hide
Inp 2077.40 NIST
Inp 2077.40 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Quinapril Me. Silane, [(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1,7-diyl)bis(oxy)]bis[trimethyl-, [6aR-(6a«alpha»,7«alpha»,10a«beta»)]-. Hydroxy-N-methylcytisine. cis-1,2-Tetralinediol, ferrocenylboronate. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. Butorphanol di-TMS derivative. Glyceollin V, TMS. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Moexipril desethyl 3Me (Moexprilate 3Me). Tazettine. N-Desmethylmirtazapine. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester.

Find more compounds similar to 1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.