Chemical Properties of Triflumizole (CAS 68694-11-1)

Triflumizole

InChI
InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3
InChI Key
HSMVPDGQOIQYSR-UHFFFAOYSA-N
Formula
C15H15ClF3N3O
SMILES
CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1ccnc1
Molecular Weight1
345.75
CAS
68694-11-1
Other Names
  • 1-(1-((4-Chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole
  • 1H-Imidazole, 1-(1-((4-chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-
  • Benzenamine, 4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)-, [N(E)]-
  • N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine
  • NF-114
  • Triflumizol
  • Trifmine
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Physical Properties

Property Value Unit Source
ω 0.7389 Relay (1.0) Calculated Property
ΔfG° -307.58 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -617.98 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 92.48 kJ/mol Relay (1.0) Calculated Property
IE 8.35 eV Relay (1.0) Calculated Property
log10WS -4.44 Aq. Solubility Prediction
logPoct/wat 4.560 Crippen Calculated Property
McVol 228.050 ml/mol McGowan Calculated Property
Pc 1933.53 kPa Relay (1.0-beta) Calculated Property
Inp 2057.00 NIST
I 2981.00 NIST
Tboil 639.32 K Relay (1.0) Calculated Property
Tc 876.33 K Relay (1.0) Calculated Property
Tfus 322.39 K Relay (1.0) Calculated Property
Vc 0.820 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. «delta»1-tetrahydrocannabinolic acid, TMS. Oxymorphone. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Baptifoline. Oxycodone. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Epibaptifoline. Nalmefene, bis(trifluoroacetate). Oxycodone TMS derivative. Argentamin. Naloxone, bis(trimethylsilyl) ether. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. Oxymorphone, bis(trimethylsilyl) ether.

Find more compounds similar to Triflumizole.

Sources

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