[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine

C15H12F3NO — CID 11173513

IUPAC[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cc(F)cc(-c3c(F)cccc3F)c2O1
InChIInChI=1S/C15H12F3NO/c16-9-4-8-5-10(7-19)20-15(8)11(6-9)14-12(17)2-1-3-13(14)18/h1-4,6,10H,5,7,19H2
InChIKeyQDBOBQJSOYBTDJ-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.03
Rot. Bonds2

About [7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 11173513) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is [7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID11173513
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cc(F)cc(-c3c(F)cccc3F)c2O1
InChIInChI=1S/C15H12F3NO/c16-9-4-8-5-10(7-19)20-15(8)11(6-9)14-12(17)2-1-3-13(14)18/h1-4,6,10H,5,7,19H2
InChIKeyQDBOBQJSOYBTDJ-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 11173513) is [7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is NCC1Cc2cc(F)cc(-c3c(F)cccc3F)c2O1.
What is the InChIKey of [7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is QDBOBQJSOYBTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-9-4-8-5-10(7-19)20-15(8)11(6-9)14-12(17)2-1-3-13(14)18/h1-4,6,10H,5,7,19H2.
What are the key properties of [7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 279.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 11173513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).