1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one

C13H14FNO2 — CID 114736896

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C13H14FNO2/c1-8(7-15-2)13(16)12-6-9-5-10(14)3-4-11(9)17-12/h3-6,8,15H,7H2,1-2H3
InChIKeyVXGWHIWMUQWFGF-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.61
Rot. Bonds4

About 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one

1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 114736896) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID114736896
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C13H14FNO2/c1-8(7-15-2)13(16)12-6-9-5-10(14)3-4-11(9)17-12/h3-6,8,15H,7H2,1-2H3
InChIKeyVXGWHIWMUQWFGF-UHFFFAOYSA-N
XLogP2.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
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-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one
CID 114737121
5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide
CID 111447978
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 109388505
N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 176698289
5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 111425569
1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586938
3-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736778
4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one
CID 114737056

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one (CID 114736896) is 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is VXGWHIWMUQWFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-8(7-15-2)13(16)12-6-9-5-10(14)3-4-11(9)17-12/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one?
1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 235.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 114736896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).