6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine

C9H9BrFNO — CID 83234894

IUPAC6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2cc(Br)c(F)cc21
InChIInChI=1S/C9H9BrFNO/c1-12-8-4-13-9-3-6(10)7(11)2-5(8)9/h2-3,8,12H,4H2,1H3
InChIKeyLZKMFGAPFDKUBV-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.24
Rot. Bonds1

About 6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine

6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83234894) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83234894
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2cc(Br)c(F)cc21
InChIInChI=1S/C9H9BrFNO/c1-12-8-4-13-9-3-6(10)7(11)2-5(8)9/h2-3,8,12H,4H2,1H3
InChIKeyLZKMFGAPFDKUBV-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 83234894) is 6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine is CNC1COc2cc(Br)c(F)cc21.
What is the InChIKey of 6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is LZKMFGAPFDKUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-12-8-4-13-9-3-6(10)7(11)2-5(8)9/h2-3,8,12H,4H2,1H3.
What are the key properties of 6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 246.08 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83234894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).