4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine

C11H14FNO3 — CID 130391382

IUPAC4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCOCCOc1cc(F)c2c(c1)OCC2N
InChIInChI=1S/C11H14FNO3/c1-14-2-3-15-7-4-8(12)11-9(13)6-16-10(11)5-7/h4-5,9H,2-3,6,13H2,1H3
InChIKeyNDCYFDIGZPNWPD-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.24
Rot. Bonds4

About 4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine

4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 130391382) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID130391382
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCOCCOc1cc(F)c2c(c1)OCC2N
InChIInChI=1S/C11H14FNO3/c1-14-2-3-15-7-4-8(12)11-9(13)6-16-10(11)5-7/h4-5,9H,2-3,6,13H2,1H3
InChIKeyNDCYFDIGZPNWPD-UHFFFAOYSA-N
XLogP1.24
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine (CID 130391382) is 4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine is COCCOc1cc(F)c2c(c1)OCC2N.
What is the InChIKey of 4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is NDCYFDIGZPNWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-14-2-3-15-7-4-8(12)11-9(13)6-16-10(11)5-7/h4-5,9H,2-3,6,13H2,1H3.
What are the key properties of 4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine?
4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 227.23 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-methoxyethoxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 130391382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).