1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine

C10H12FNO — CID 83906490

IUPAC1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
SMILESCC(N)C1COc2c(F)cccc21
InChIInChI=1S/C10H12FNO/c1-6(12)8-5-13-10-7(8)3-2-4-9(10)11/h2-4,6,8H,5,12H2,1H3
InChIKeyBSSQAHVCBVQQHM-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.65
Rot. Bonds1

About 1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine

1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine (PubChem CID 83906490) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound Name1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
PubChem CID83906490
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
SMILESCC(N)C1COc2c(F)cccc21
InChIInChI=1S/C10H12FNO/c1-6(12)8-5-13-10-7(8)3-2-4-9(10)11/h2-4,6,8H,5,12H2,1H3
InChIKeyBSSQAHVCBVQQHM-UHFFFAOYSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The IUPAC name of 1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine (CID 83906490) is 1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for 1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for 1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine is CC(N)C1COc2c(F)cccc21.
What is the InChIKey of 1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The InChIKey is BSSQAHVCBVQQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6(12)8-5-13-10-7(8)3-2-4-9(10)11/h2-4,6,8H,5,12H2,1H3.
What are the key properties of 1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine has a molecular weight of 181.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 83906490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).