6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline

C11H13BrFN — CID 175743250

IUPAC6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline
SMILES[2H]C1N([2H])Cc2c(F)cc(Br)cc2C1(C)C
InChIInChI=1S/C11H13BrFN/c1-11(2)6-14-5-8-9(11)3-7(12)4-10(8)13/h3-4,14H,5-6H2,1-2H3/i6D/hD
InChIKeyDBHUGUNVIKBBKY-MOEATMQCSA-N
MW260.15 g/mol
LogP2.97
Rot. Bonds

About 6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline

6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline (PubChem CID 175743250) has the molecular formula C11H13BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline.

Molecular Properties

Compound Name6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline
PubChem CID175743250
Molecular FormulaC11H13BrFN
Molecular Weight260.15 g/mol
Exact Mass259.03
IUPAC Name6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline
SMILES[2H]C1N([2H])Cc2c(F)cc(Br)cc2C1(C)C
InChIInChI=1S/C11H13BrFN/c1-11(2)6-14-5-8-9(11)3-7(12)4-10(8)13/h3-4,14H,5-6H2,1-2H3/i6D/hD
InChIKeyDBHUGUNVIKBBKY-MOEATMQCSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole
CID 178022194
(6-bromo-8-fluoro-4-methyl-1,3-dihydroisochromen-4-yl)oxy-trimethylsilane
CID 166172423
5-bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 69199578
5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride
CID 136576261
(1S)-7-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94418031
6-bromo-4,4,8-trifluoro-3-hydroxy-3-methyl-2H-isoquinolin-1-one
CID 166092314
(1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 66799240
5-bromo-3,3,7-trimethyl-1,2-dihydroindole
CID 79016325
6-bromo-4-fluoro-1-methyl-2,3-dihydroindole
CID 71089596
8-bromo-7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride
CID 154848883
5-bromo-3,3-diethyl-7-fluoro-1H-indol-2-one
CID 24824339
azane;1-bromo-3-fluoro-5-(1-methylcyclopropyl)benzene
CID 175348081

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline?
The IUPAC name of 6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline (CID 175743250) is 6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline.
What is the SMILES notation for 6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline?
The canonical SMILES for 6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline is [2H]C1N([2H])Cc2c(F)cc(Br)cc2C1(C)C.
What is the InChIKey of 6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline?
The InChIKey is DBHUGUNVIKBBKY-MOEATMQCSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-11(2)6-14-5-8-9(11)3-7(12)4-10(8)13/h3-4,14H,5-6H2,1-2H3/i6D/hD.
What are the key properties of 6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline?
6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline has a molecular weight of 260.15 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dideuterio-8-fluoro-4,4-dimethyl-1,3-dihydroisoquinoline is sourced from PubChem (CID 175743250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).