8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C9H10BrClFN — CID 126809477

IUPAC8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Fc1cc(Br)c2c(c1)CCNC2
InChIInChI=1S/C9H9BrFN.ClH/c10-9-4-7(11)3-6-1-2-12-5-8(6)9;/h3-4,12H,1-2,5H2;1H
InChIKeyQBQFXHKWMBNVJU-UHFFFAOYSA-N
MW266.54 g/mol
LogP2.66
Rot. Bonds

About 8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride

8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 126809477) has the molecular formula C9H10BrClFN and a molecular weight of 266.54 g/mol. Its IUPAC name is 8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID126809477
Molecular FormulaC9H10BrClFN
Molecular Weight266.54 g/mol
Exact Mass264.97
IUPAC Name8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Fc1cc(Br)c2c(c1)CCNC2
InChIInChI=1S/C9H9BrFN.ClH/c10-9-4-7(11)3-6-1-2-12-5-8(6)9;/h3-4,12H,1-2,5H2;1H
InChIKeyQBQFXHKWMBNVJU-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 126809477) is 8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cl.Fc1cc(Br)c2c(c1)CCNC2.
What is the InChIKey of 8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is QBQFXHKWMBNVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN.ClH/c10-9-4-7(11)3-6-1-2-12-5-8(6)9;/h3-4,12H,1-2,5H2;1H.
What are the key properties of 8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 266.54 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 126809477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).