6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline

C9H9ClFN — CID 53418628

IUPAC6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1c(Cl)ccc2c1CCNC2
InChIInChI=1S/C9H9ClFN/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-2,12H,3-5H2
InChIKeyQJPSJQNDPZAPSO-UHFFFAOYSA-N
MW185.63 g/mol
LogP2.12
Rot. Bonds

About 6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline

6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 53418628) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is 6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline
PubChem CID53418628
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1c(Cl)ccc2c1CCNC2
InChIInChI=1S/C9H9ClFN/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-2,12H,3-5H2
InChIKeyQJPSJQNDPZAPSO-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 84652626
5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride
CID 135392566
6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine
CID 59862329
2-(2-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120882141
8-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol
CID 70563386
5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 53435831
2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120882527
6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 167716546
2-(2-chloro-5-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120883141
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-propan-2-ylbenzamide
CID 120881766
2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide
CID 120881626
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
CID 120883420

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline (CID 53418628) is 6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline is Fc1c(Cl)ccc2c1CCNC2.
What is the InChIKey of 6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QJPSJQNDPZAPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-2,12H,3-5H2.
What are the key properties of 6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 185.63 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 53418628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).