2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine

C10H12FNO2 — CID 11401340

IUPAC2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine
SMILESNCCOc1cc(F)cc2c1OCC2
InChIInChI=1S/C10H12FNO2/c11-8-5-7-1-3-14-10(7)9(6-8)13-4-2-12/h5-6H,1-4,12H2
InChIKeyUWRBSCGDISOCOH-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.10
Rot. Bonds3

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

2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine (PubChem CID 11401340) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine
PubChem CID11401340
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine
SMILESNCCOc1cc(F)cc2c1OCC2
InChIInChI=1S/C10H12FNO2/c11-8-5-7-1-3-14-10(7)9(6-8)13-4-2-12/h5-6H,1-4,12H2
InChIKeyUWRBSCGDISOCOH-UHFFFAOYSA-N
XLogP1.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine?
The IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine (CID 11401340) is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine?
The canonical SMILES for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine is NCCOc1cc(F)cc2c1OCC2.
What is the InChIKey of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine?
The InChIKey is UWRBSCGDISOCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-8-5-7-1-3-14-10(7)9(6-8)13-4-2-12/h5-6H,1-4,12H2.
What are the key properties of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine?
2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine has a molecular weight of 197.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine is sourced from PubChem (CID 11401340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).