8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

C12H15BrFN — CID 63272100

IUPAC8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)C1NCCc2c(F)ccc(Br)c21
InChIInChI=1S/C12H15BrFN/c1-7(2)12-11-8(5-6-15-12)10(14)4-3-9(11)13/h3-4,7,12,15H,5-6H2,1-2H3
InChIKeyNPONZGACTLKGOX-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.43
Rot. Bonds1

About 8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63272100) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID63272100
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)C1NCCc2c(F)ccc(Br)c21
InChIInChI=1S/C12H15BrFN/c1-7(2)12-11-8(5-6-15-12)10(14)4-3-9(11)13/h3-4,7,12,15H,5-6H2,1-2H3
InChIKeyNPONZGACTLKGOX-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 63272100) is 8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is CC(C)C1NCCc2c(F)ccc(Br)c21.
What is the InChIKey of 8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NPONZGACTLKGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-7(2)12-11-8(5-6-15-12)10(14)4-3-9(11)13/h3-4,7,12,15H,5-6H2,1-2H3.
What are the key properties of 8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 272.16 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63272100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).