Chemical Properties of Isoquinoline, 1,2,3,4-tetrahydro-2-(trifluoroacetyl)- (CAS 55649-51-9)

Isoquinoline, 1,2,3,4-tetrahydro-2-(trifluoroacetyl)-

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InChI
InChI=1S/C11H10F3NO/c12-11(13,14)10(16)15-6-5-8-3-1-2-4-9(8)7-15/h1-4H,5-7H2
InChI Key
DVTYJMQWZHKOTG-UHFFFAOYSA-N
Formula
C11H10F3NO
SMILES
O=C(N1CCc2ccccc2C1)C(F)(F)F
Molecular Weight1
229.20
CAS
55649-51-9
Other Names
  • 1,2,3,4-Tetrahydroisoquinoline, TFA
  • Ethanone, 1-(3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-
  • 1,2,3,4-tetrahydro-2-trifluoroacetylisoquinoline
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Physical Properties

Property Value Unit Source
ω 0.4324 Relay (... Calculated Property
ΔfG° -460.06 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -643.23 kJ/mol Relay (... Calculated Property
ΔvapH° 66.72 kJ/mol Relay (... Calculated Property
IE 9.30 eV Relay (... Calculated Property
log10WS -1.54 Relay (... Calculated Property
logPoct/wat 2.134 Crippen Calculated Property
McVol 148.090 ml/mol McGowan Calculated Property
Pc 2374.95 kPa Relay (... Calculated Property ⚠️
Tboil 542.01 K Relay (... Calculated Property
Tc 721.27 K Relay (... Calculated Property
Tfus 301.09 K Relay (... Calculated Property
Vc 0.531 m3/kmol Relay (... Calculated Property

Similar Compounds

N-Acetylnorlaudanosine. Californine-M (nor-) AC. Praziquantel. Glutarimide, N-(1,2,3,4-tetrahydronaphth-1-yl)-. Carnegine. Emetine. Benzquinamide. 2H-benzo[a]quinolizine-3-carboxamide,n,n-diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-,methyl ester carbonate. Californine-M (nor-demethylene-methyl-) 2AC. Spiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-1'-methyl-, (R)-. Clobenzorex, N-trifluoroacetyl. Quinapril desethyl - H2O Me (Quinaprilate - H2O Me). Californine-M (nor-demethylene) 3AC. 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cycloheptene. L-Proline, N-(4-butylbenzoyl)-, propyl ester.

Find more compounds similar to Isoquinoline, 1,2,3,4-tetrahydro-2-(trifluoroacetyl)-.

Sources

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