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

7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline - CAS 199678-32-5

Catalog:	BB015417
Product Name:	7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CAS:	199678-32-5
Synonyms:	7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline; 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Description:	7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CAS# 199678-32-5) is a useful research chemical.
Molecular Weight:	201.19
Molecular Formula:	C10H10F3N
Canonical SMILES:	C1CNCC2=C1C=CC(=C2)C(F)(F)F
InChI:	InChI=1S/C10H10F3N/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2
InChI Key:	NGQHLYGRTFVUEM-UHFFFAOYSA-N
Boiling Point:	228.9 °C at 760 mmHg
Density:	1.213 g/cm³
LogP:	3.48190

Publication Number	Title	Priority Date
WO-2019118657-A1	Fluorinated 4-(substituted amino)phenyl carbamate derivatives	20171213
TW-201922700-A	Indole benzene derivative and its medical use	20171031
WO-2019088057-A1	Anilide derivative and medicinal use thereof	20171031
JP-WO2019088057-A1	Anilide derivatives and their pharmaceutical uses	20171031
CN-109516982-A	Î¼-opioid receptor agonist and preparation method thereof and application in field of medicaments	20170918

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Related Functional Groups

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[938459-19-9]
2-Chloro-4-methyl-7-(methylthio)quinoline
[361982-79-8]
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[13676-02-3]
2-Chloro-6-methoxyquinoline

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.07653381
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	201.07653381
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4