7-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride

C₁₀H₁₁ClF₃NCAS 220247-87-0237.65 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine

Properties

Molecular formula: C₁₀H₁₁ClF₃N
Molar mass: 237.65 g/mol
Exact mass: 237.0532 Da
logP: 2.77Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

220247-87-0

SMILES

C1CNCC2=C1C=CC(=C2)C(F)(F)F.Cl

InChIKey

KAYKKSBELWYSON-UHFFFAOYSA-N

InChI

InChI=1S/C10H10F3N.ClH/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9;/h1-2,5,14H,3-4,6H2;1H

Weigh it out

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Names and synonyms

1 names

7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Work with 7-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride220247-73-455 % similar 5-(Trifluoromethyl)-2,3-dihydro-1H-indole162100-55-253 % similar 6-(Trifluoromethyl)indoline181513-29-153 % similar 1,2,3,4-Tetrahydroisoquinoline hydrochloride14099-81-151 % similar 6-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride215798-19-948 % similar 7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline450-62-448 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-647 % similar 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride2328-12-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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