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

C10H11ClFN — CID 83374128

IUPAC6-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2cc(Cl)cc(F)c21
InChIInChI=1S/C10H11ClFN/c1-6-10-7(2-3-13-6)4-8(11)5-9(10)12/h4-6,13H,2-3H2,1H3
InChIKeyRKFAQOKGFNXYNE-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.69
Rot. Bonds

About 6-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline

6-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83374128) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 6-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID83374128
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name6-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2cc(Cl)cc(F)c21
InChIInChI=1S/C10H11ClFN/c1-6-10-7(2-3-13-6)4-8(11)5-9(10)12/h4-6,13H,2-3H2,1H3
InChIKeyRKFAQOKGFNXYNE-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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 83374128) is 6-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline is CC1NCCc2cc(Cl)cc(F)c21.
What is the InChIKey of 6-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RKFAQOKGFNXYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c1-6-10-7(2-3-13-6)4-8(11)5-9(10)12/h4-6,13H,2-3H2,1H3.
What are the key properties of 6-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
6-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 6-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83374128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).