2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one

C14H15FO3 — CID 114726166

IUPAC2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H15FO3/c1-4-17-14(2,3)13(16)12-8-9-7-10(15)5-6-11(9)18-12/h5-8H,4H2,1-3H3
InChIKeyFFTLRBYSTMSRFT-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.57
Rot. Bonds4

About 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one

2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one (PubChem CID 114726166) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one
PubChem CID114726166
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H15FO3/c1-4-17-14(2,3)13(16)12-8-9-7-10(15)5-6-11(9)18-12/h5-8H,4H2,1-3H3
InChIKeyFFTLRBYSTMSRFT-UHFFFAOYSA-N
XLogP3.57
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114731292
2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 114038355
3-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736778
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709
5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide
CID 111694876
ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate
CID 114732712
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 109388505
2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114736180

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one?
The IUPAC name of 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one (CID 114726166) is 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one is CCOC(C)(C)C(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one?
The InChIKey is FFTLRBYSTMSRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO3/c1-4-17-14(2,3)13(16)12-8-9-7-10(15)5-6-11(9)18-12/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one?
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one has a molecular weight of 250.27 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 114726166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).