7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline

C10H11ClFN — CID 83370908

IUPAC7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2ccc(Cl)c(F)c21
InChIInChI=1S/C10H11ClFN/c1-6-9-7(4-5-13-6)2-3-8(11)10(9)12/h2-3,6,13H,4-5H2,1H3
InChIKeyUAECSEBSUGREBQ-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.69
Rot. Bonds

About 7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline

7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83370908) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID83370908
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2ccc(Cl)c(F)c21
InChIInChI=1S/C10H11ClFN/c1-6-9-7(4-5-13-6)2-3-8(11)10(9)12/h2-3,6,13H,4-5H2,1H3
InChIKeyUAECSEBSUGREBQ-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-chloro-8-fluoro-1-methyl-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 7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 83370908) is 7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline is CC1NCCc2ccc(Cl)c(F)c21.
What is the InChIKey of 7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UAECSEBSUGREBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c1-6-9-7(4-5-13-6)2-3-8(11)10(9)12/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 199.66 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83370908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).