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

C15H13F2NO — CID 11184552

IUPAC[5-fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cc(F)cc(-c3cccc(F)c3)c2O1
InChIInChI=1S/C15H13F2NO/c16-11-3-1-2-9(4-11)14-7-12(17)5-10-6-13(8-18)19-15(10)14/h1-5,7,13H,6,8,18H2
InChIKeyZEEBRNJGJJEXAT-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.89
Rot. Bonds2

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

[5-fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 11184552) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is [5-fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID11184552
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name[5-fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cc(F)cc(-c3cccc(F)c3)c2O1
InChIInChI=1S/C15H13F2NO/c16-11-3-1-2-9(4-11)14-7-12(17)5-10-6-13(8-18)19-15(10)14/h1-5,7,13H,6,8,18H2
InChIKeyZEEBRNJGJJEXAT-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [5-fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 11184552) is [5-fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [5-fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [5-fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is NCC1Cc2cc(F)cc(-c3cccc(F)c3)c2O1.
What is the InChIKey of [5-fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is ZEEBRNJGJJEXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c16-11-3-1-2-9(4-11)14-7-12(17)5-10-6-13(8-18)19-15(10)14/h1-5,7,13H,6,8,18H2.
What are the key properties of [5-fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[5-fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 261.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 11184552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).