8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride

C11H14BrClFN — CID 154848883

IUPAC8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride
SMILESCC1(C)CNCc2c1ccc(F)c2Br.Cl
InChIInChI=1S/C11H13BrFN.ClH/c1-11(2)6-14-5-7-8(11)3-4-9(13)10(7)12;/h3-4,14H,5-6H2,1-2H3;1H
InChIKeyCDLRNNYABALVSG-UHFFFAOYSA-N
MW294.60 g/mol
LogP3.39
Rot. Bonds

About 8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride

8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 154848883) has the molecular formula C11H14BrClFN and a molecular weight of 294.60 g/mol. Its IUPAC name is 8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride
PubChem CID154848883
Molecular FormulaC11H14BrClFN
Molecular Weight294.60 g/mol
Exact Mass293.00
IUPAC Name8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride
SMILESCC1(C)CNCc2c1ccc(F)c2Br.Cl
InChIInChI=1S/C11H13BrFN.ClH/c1-11(2)6-14-5-7-8(11)3-4-9(13)10(7)12;/h3-4,14H,5-6H2,1-2H3;1H
InChIKeyCDLRNNYABALVSG-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.60
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride (CID 154848883) is 8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride is CC1(C)CNCc2c1ccc(F)c2Br.Cl.
What is the InChIKey of 8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is CDLRNNYABALVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN.ClH/c1-11(2)6-14-5-7-8(11)3-4-9(13)10(7)12;/h3-4,14H,5-6H2,1-2H3;1H.
What are the key properties of 8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride?
8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 294.60 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 154848883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).