Chemical Properties of 1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide (CAS 106308-44-5)

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
N=C(O)c1cn(Cc2c(F)cccc2F)nn1
Molecular Weight1
238.19
CAS
106308-44-5
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
ω 0.8680 Relay (1.0) Calculated Property
Δf 1.89 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -206.01 kJ/mol Relay (1.0) Calculated Property
Δvap 113.07 kJ/mol Relay (1.0) Calculated Property
IE 9.00 eV Relay (1.0) Calculated Property
log10WS -2.88 Relay (1.0) Calculated Property
logPoct/wat 1.488 Crippen Calculated Property
McVol 153.570 ml/mol McGowan Calculated Property
Pc 4422.99 kPa Relay (1.0-beta) Calculated Property
Inp 2077.40 NIST
Tboil 632.49 K Relay (1.0) Calculated Property
Tc 918.13 K Relay (1.0) Calculated Property
Tfus 480.30 K Relay (1.0) Calculated Property
Vc 0.571 m3/kmol Relay (1.0) Calculated Property

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»)]-. 5-Methoxytryptophan, ethoxycarbonylated, TBDMS. Ibogaine. Moexipril desethyl 3Me (Moexprilate 3Me). Hydroxy-N-methylcytisine. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. cis-1,2-Tetralinediol, ferrocenylboronate. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. Yohimbine. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Tazettine. Noscapine. Benazepril Me. Moexipril Me.

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.