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

Analyze 6-chloro-5-fluoro-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

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).