6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline

C15H11BrFN — CID 155391353

IUPAC6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline
SMILESFc1ccc(C2=NCCc3cc(Br)ccc32)cc1
InChIInChI=1S/C15H11BrFN/c16-12-3-6-14-11(9-12)7-8-18-15(14)10-1-4-13(17)5-2-10/h1-6,9H,7-8H2
InChIKeyJYOHHARRDVCBFS-UHFFFAOYSA-N
MW304.16 g/mol
LogP3.98
Rot. Bonds1

About 6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline

6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline (PubChem CID 155391353) has the molecular formula C15H11BrFN and a molecular weight of 304.16 g/mol. Its IUPAC name is 6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline
PubChem CID155391353
Molecular FormulaC15H11BrFN
Molecular Weight304.16 g/mol
Exact Mass303.01
IUPAC Name6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline
SMILESFc1ccc(C2=NCCc3cc(Br)ccc32)cc1
InChIInChI=1S/C15H11BrFN/c16-12-3-6-14-11(9-12)7-8-18-15(14)10-1-4-13(17)5-2-10/h1-6,9H,7-8H2
InChIKeyJYOHHARRDVCBFS-UHFFFAOYSA-N
XLogP3.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline?
The IUPAC name of 6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline (CID 155391353) is 6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline is Fc1ccc(C2=NCCc3cc(Br)ccc32)cc1.
What is the InChIKey of 6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline?
The InChIKey is JYOHHARRDVCBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN/c16-12-3-6-14-11(9-12)7-8-18-15(14)10-1-4-13(17)5-2-10/h1-6,9H,7-8H2.
What are the key properties of 6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline?
6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline has a molecular weight of 304.16 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 155391353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).