3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine

C16H12FNO2 — CID 116837686

IUPAC3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc2c(c1)NC(c1coc3ccccc13)CO2
InChIInChI=1S/C16H12FNO2/c17-10-5-6-16-13(7-10)18-14(9-20-16)12-8-19-15-4-2-1-3-11(12)15/h1-8,14,18H,9H2
InChIKeyLQUQIKIHRHLTIA-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.12
Rot. Bonds1

About 3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine

3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116837686) has the molecular formula C16H12FNO2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116837686
Molecular FormulaC16H12FNO2
Molecular Weight269.27 g/mol
Exact Mass269.09
IUPAC Name3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc2c(c1)NC(c1coc3ccccc13)CO2
InChIInChI=1S/C16H12FNO2/c17-10-5-6-16-13(7-10)18-14(9-20-16)12-8-19-15-4-2-1-3-11(12)15/h1-8,14,18H,9H2
InChIKeyLQUQIKIHRHLTIA-UHFFFAOYSA-N
XLogP4.12
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine (CID 116837686) is 3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine is Fc1ccc2c(c1)NC(c1coc3ccccc13)CO2.
What is the InChIKey of 3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is LQUQIKIHRHLTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-10-5-6-16-13(7-10)18-14(9-20-16)12-8-19-15-4-2-1-3-11(12)15/h1-8,14,18H,9H2.
What are the key properties of 3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 269.27 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116837686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).