(4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline

C9H9BrFN — CID 129390154

IUPAC(4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESF[C@H]1CNCc2ccc(Br)cc21
InChIInChI=1S/C9H9BrFN/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3,9,12H,4-5H2/t9-/m0/s1
InChIKeyMLUAMNYTSQDIQM-VIFPVBQESA-N
MW230.08 g/mol
LogP2.56
Rot. Bonds

About (4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline

(4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 129390154) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is (4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline
PubChem CID129390154
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name(4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESF[C@H]1CNCc2ccc(Br)cc21
InChIInChI=1S/C9H9BrFN/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3,9,12H,4-5H2/t9-/m0/s1
InChIKeyMLUAMNYTSQDIQM-VIFPVBQESA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline (CID 129390154) is (4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline is F[C@H]1CNCc2ccc(Br)cc21.
What is the InChIKey of (4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MLUAMNYTSQDIQM-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9BrFN/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3,9,12H,4-5H2/t9-/m0/s1.
What are the key properties of (4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline?
(4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 230.08 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-4-fluoro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 129390154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).