7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline

C15H11BrFN — CID 170646835

IUPAC7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline
SMILESFc1ccccc1C1=NCCc2ccc(Br)cc21
InChIInChI=1S/C15H11BrFN/c16-11-6-5-10-7-8-18-15(13(10)9-11)12-3-1-2-4-14(12)17/h1-6,9H,7-8H2
InChIKeyHLGBNJZHQNPRKD-UHFFFAOYSA-N
MW304.16 g/mol
LogP3.98
Rot. Bonds1

About 7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline

7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline (PubChem CID 170646835) has the molecular formula C15H11BrFN and a molecular weight of 304.16 g/mol. Its IUPAC name is 7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline
PubChem CID170646835
Molecular FormulaC15H11BrFN
Molecular Weight304.16 g/mol
Exact Mass303.01
IUPAC Name7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline
SMILESFc1ccccc1C1=NCCc2ccc(Br)cc21
InChIInChI=1S/C15H11BrFN/c16-11-6-5-10-7-8-18-15(13(10)9-11)12-3-1-2-4-14(12)17/h1-6,9H,7-8H2
InChIKeyHLGBNJZHQNPRKD-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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Related Compounds

6-(3-Bromophenyl)-2,3,4,5-tetrahydropyridine
CID 127024854
6-(3-Bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 127026746
7-Bromo-3,4-dihydroisoquinoline
CID 12000034
1-(4-Fluorophenyl)-3,4-dihydroisoquinoline
CID 12821967
N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine
CID 24754440
N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine
CID 101453925
4-bromo-7-phenyl-5H-benzo[d][2]benzazepine
CID 86185797
6-Bromo-3-phenyl-3,4-dihydroisoquinolin-1-amine
CID 10936656
1-(3-Bromophenyl)-3,4-dihydroisoquinoline
CID 44248023
6-Bromo-1-methyl-3,4-dihydroisoquinoline
CID 58416380
1-[(2-Bromophenyl)methyl]-3,4-dihydroisoquinoline
CID 86025440
2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
CID 12056592

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline?
The IUPAC name of 7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline (CID 170646835) is 7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline is Fc1ccccc1C1=NCCc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline?
The InChIKey is HLGBNJZHQNPRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN/c16-11-6-5-10-7-8-18-15(13(10)9-11)12-3-1-2-4-14(12)17/h1-6,9H,7-8H2.
What are the key properties of 7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline?
7-bromo-1-(2-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 7-bromo-1-(2-fluorophenyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 170646835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).