6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline

C11H11BrFN — CID 175743248

IUPAC6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline
SMILESCC1=NC(C)Cc2cc(Br)cc(F)c21
InChIInChI=1S/C11H11BrFN/c1-6-3-8-4-9(12)5-10(13)11(8)7(2)14-6/h4-6H,3H2,1-2H3
InChIKeyTWUOILZTRKTZPY-UHFFFAOYSA-N
MW256.12 g/mol
LogP3.34
Rot. Bonds

About 6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline

6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline (PubChem CID 175743248) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is 6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline
PubChem CID175743248
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC Name6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline
SMILESCC1=NC(C)Cc2cc(Br)cc(F)c21
InChIInChI=1S/C11H11BrFN/c1-6-3-8-4-9(12)5-10(13)11(8)7(2)14-6/h4-6H,3H2,1-2H3
InChIKeyTWUOILZTRKTZPY-UHFFFAOYSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline?
The IUPAC name of 6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline (CID 175743248) is 6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline?
The canonical SMILES for 6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline is CC1=NC(C)Cc2cc(Br)cc(F)c21.
What is the InChIKey of 6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline?
The InChIKey is TWUOILZTRKTZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN/c1-6-3-8-4-9(12)5-10(13)11(8)7(2)14-6/h4-6H,3H2,1-2H3.
What are the key properties of 6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline?
6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline has a molecular weight of 256.12 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-1,3-dimethyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 175743248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).