1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one

C12H10F2O2 — CID 65428233

IUPAC1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc2c(F)cc(F)cc2o1
InChIInChI=1S/C12H10F2O2/c1-6(2)12(15)11-5-8-9(14)3-7(13)4-10(8)16-11/h3-6H,1-2H3
InChIKeyAXCHULXQVZGWNF-UHFFFAOYSA-N
MW224.21 g/mol
LogP3.55
Rot. Bonds2

About 1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one

1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one (PubChem CID 65428233) has the molecular formula C12H10F2O2 and a molecular weight of 224.21 g/mol. Its IUPAC name is 1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one
PubChem CID65428233
Molecular FormulaC12H10F2O2
Molecular Weight224.21 g/mol
Exact Mass224.06
IUPAC Name1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc2c(F)cc(F)cc2o1
InChIInChI=1S/C12H10F2O2/c1-6(2)12(15)11-5-8-9(14)3-7(13)4-10(8)16-11/h3-6H,1-2H3
InChIKeyAXCHULXQVZGWNF-UHFFFAOYSA-N
XLogP3.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine
CID 65440041
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-one
CID 165451445
1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one
CID 114736896
bis(2,4,6-trifluorophenyl) oxalate
CID 23448587
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
5,7-difluoro-1-oxoisochromene-3-carboxylic acid
CID 114517456
[2,6-difluoro-4-(propan-2-ylcarbamoyloxymethyl)phenyl] 2-methylpropanoate
CID 170256035
2-(methylamino)-1-(2,3,5-trifluorophenyl)propan-1-one
CID 130598156
6-fluoro-N-methyl-4-oxochromene-2-carboxamide
CID 139338161
2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one
CID 114737121
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 8782108

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one (CID 65428233) is 1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cc2c(F)cc(F)cc2o1.
What is the InChIKey of 1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one?
The InChIKey is AXCHULXQVZGWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O2/c1-6(2)12(15)11-5-8-9(14)3-7(13)4-10(8)16-11/h3-6H,1-2H3.
What are the key properties of 1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one?
1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one has a molecular weight of 224.21 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 65428233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).