[7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine

C15H10Cl2FNO — CID 15942054

IUPAC[7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine
SMILESNCc1cc2cc(F)cc(-c3cc(Cl)ccc3Cl)c2o1
InChIInChI=1S/C15H10Cl2FNO/c16-9-1-2-14(17)12(5-9)13-6-10(18)3-8-4-11(7-19)20-15(8)13/h1-6H,7,19H2
InChIKeyLGXNZKBOHHSADS-UHFFFAOYSA-N
MW310.16 g/mol
LogP5.00
Rot. Bonds2

About [7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine

[7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine (PubChem CID 15942054) has the molecular formula C15H10Cl2FNO and a molecular weight of 310.16 g/mol. Its IUPAC name is [7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine
PubChem CID15942054
Molecular FormulaC15H10Cl2FNO
Molecular Weight310.16 g/mol
Exact Mass309.01
IUPAC Name[7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine
SMILESNCc1cc2cc(F)cc(-c3cc(Cl)ccc3Cl)c2o1
InChIInChI=1S/C15H10Cl2FNO/c16-9-1-2-14(17)12(5-9)13-6-10(18)3-8-4-11(7-19)20-15(8)13/h1-6H,7,19H2
InChIKeyLGXNZKBOHHSADS-UHFFFAOYSA-N
XLogP5.00
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.16
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine (CID 15942054) is [7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine is NCc1cc2cc(F)cc(-c3cc(Cl)ccc3Cl)c2o1.
What is the InChIKey of [7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine?
The InChIKey is LGXNZKBOHHSADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FNO/c16-9-1-2-14(17)12(5-9)13-6-10(18)3-8-4-11(7-19)20-15(8)13/h1-6H,7,19H2.
What are the key properties of [7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine?
[7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine has a molecular weight of 310.16 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,5-dichlorophenyl)-5-fluoro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 15942054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).