5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

C10H9ClF3N — CID 84699061

IUPAC5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)C1CNCc2cccc(Cl)c21
InChIInChI=1S/C10H9ClF3N/c11-8-3-1-2-6-4-15-5-7(9(6)8)10(12,13)14/h1-3,7,15H,4-5H2
InChIKeyXMDTTWSPCSFGQQ-UHFFFAOYSA-N
MW235.64 g/mol
LogP3.09
Rot. Bonds

About 5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 84699061) has the molecular formula C10H9ClF3N and a molecular weight of 235.64 g/mol. Its IUPAC name is 5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID84699061
Molecular FormulaC10H9ClF3N
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)C1CNCc2cccc(Cl)c21
InChIInChI=1S/C10H9ClF3N/c11-8-3-1-2-6-4-15-5-7(9(6)8)10(12,13)14/h1-3,7,15H,4-5H2
InChIKeyXMDTTWSPCSFGQQ-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline
CID 82129477
6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84721189
4,7-bis(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115063800
N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide
CID 82585206
5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584706
4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 165456162
(4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9168839
(2R)-7-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 130682483
7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84737224
(1R)-7-chloro-2,3-dihydro-1H-isoindole-1-carboxylic acid
CID 130707262
4-tert-butyl-1,2,3,4-tetrahydroisoquinoline
CID 58837525
4-chloro-1,2,3,4-tetrahydroisoquinoline
CID 91517111

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 84699061) is 5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is FC(F)(F)C1CNCc2cccc(Cl)c21.
What is the InChIKey of 5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XMDTTWSPCSFGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N/c11-8-3-1-2-6-4-15-5-7(9(6)8)10(12,13)14/h1-3,7,15H,4-5H2.
What are the key properties of 5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 235.64 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 84699061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).