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

C15H12ClF2NO — CID 11243396

IUPAC[5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cc(Cl)cc(-c3cccc(F)c3F)c2O1
InChIInChI=1S/C15H12ClF2NO/c16-9-4-8-5-10(7-19)20-15(8)12(6-9)11-2-1-3-13(17)14(11)18/h1-4,6,10H,5,7,19H2
InChIKeyUIIWEJUTFYWJSO-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.55
Rot. Bonds2

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

[5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 11243396) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is [5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID11243396
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name[5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cc(Cl)cc(-c3cccc(F)c3F)c2O1
InChIInChI=1S/C15H12ClF2NO/c16-9-4-8-5-10(7-19)20-15(8)12(6-9)11-2-1-3-13(17)14(11)18/h1-4,6,10H,5,7,19H2
InChIKeyUIIWEJUTFYWJSO-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 11243396) is [5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is NCC1Cc2cc(Cl)cc(-c3cccc(F)c3F)c2O1.
What is the InChIKey of [5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is UIIWEJUTFYWJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO/c16-9-4-8-5-10(7-19)20-15(8)12(6-9)11-2-1-3-13(17)14(11)18/h1-4,6,10H,5,7,19H2.
What are the key properties of [5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 295.72 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 11243396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).