Chemical Properties of Fluotrimazole (CAS 31251-03-3)

Fluotrimazole

InChI
InChI=1S/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H
InChI Key
LXMQMMSGERCRSU-UHFFFAOYSA-N
Formula
C22H16F3N3
SMILES
FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2cncn2)c1
Molecular Weight1
379.38
CAS
31251-03-3
Other Names
  • 1-[di(phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
  • 1-[diphenyl[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
  • 1H-1,2,4-Triazole, 1-[diphenyl[3-(trifluoromethyl)phenyl]methyl]-
  • B 6660
  • Fluotrimazol
  • NSC 303302
  • Persulon
  • Persulon 6660
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Physical Properties

Property Value Unit Source
ω 0.6335 Relay (1.0) Calculated Property
ΔfG° 92.87 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -111.26 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 104.23 kJ/mol Relay (1.0) Calculated Property
IE 9.24 eV Relay (1.0) Calculated Property
log10WS -8.40 Aq. Solubility Prediction
logPoct/wat 5.137 Crippen Calculated Property
McVol 265.350 ml/mol McGowan Calculated Property
Pc 1814.70 kPa Relay (1.0-beta) Calculated Property
Tboil 694.28 K Relay (1.0) Calculated Property
Tc 1036.62 K Relay (1.0) Calculated Property
Tfus 455.69 K Relay (1.0) Calculated Property
Vc 0.950 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Diphenyl 1-triazolyl carbinol. Letrozole. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Metergoline. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. 6-Tetrahydrocannabinol, 7-hydroxy, allyl-DMS. uridine, TMS. «alpha»-Pseudouridine, TMS. 5-Hydroxyuracil riboside, TMS. 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»)]-. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone. Sterigmatocystin, O-tert.-butyldimethylsilyl-. Silane, [(6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-9-methylene-3-pentyl-6H-dibenzo[b,d]pyran-1-yl)oxy]dimethyl-2-propenyl-, (6aR-trans)-. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. 21-Hydroxyintergerrimine.

Find more compounds similar to Fluotrimazole.

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