(5-fluoro-1-benzofuran-2-yl)methanamine

C9H8FNO — CID 62379398

IUPAC(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESNCc1cc2cc(F)ccc2o1
InChIInChI=1S/C9H8FNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2
InChIKeyLTOFWMJHHXPYQU-UHFFFAOYSA-N
MW165.17 g/mol
LogP2.03
Rot. Bonds1

About (5-fluoro-1-benzofuran-2-yl)methanamine

(5-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 62379398) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID62379398
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESNCc1cc2cc(F)ccc2o1
InChIInChI=1S/C9H8FNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2
InChIKeyLTOFWMJHHXPYQU-UHFFFAOYSA-N
XLogP2.03
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)methanamine (CID 62379398) is (5-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)methanamine is NCc1cc2cc(F)ccc2o1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is LTOFWMJHHXPYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)methanamine?
(5-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 165.17 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 62379398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).