1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one

C13H13FO2 — CID 65428423

IUPAC1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one
SMILESCCCC(=O)c1cc2c(C)ccc(F)c2o1
InChIInChI=1S/C13H13FO2/c1-3-4-11(15)12-7-9-8(2)5-6-10(14)13(9)16-12/h5-7H,3-4H2,1-2H3
InChIKeyDJWJMXRTEWZFDE-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.86
Rot. Bonds3

About 1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one

1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one (PubChem CID 65428423) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one
PubChem CID65428423
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one
SMILESCCCC(=O)c1cc2c(C)ccc(F)c2o1
InChIInChI=1S/C13H13FO2/c1-3-4-11(15)12-7-9-8(2)5-6-10(14)13(9)16-12/h5-7H,3-4H2,1-2H3
InChIKeyDJWJMXRTEWZFDE-UHFFFAOYSA-N
XLogP3.86
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone
CID 138053963
1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 102990678
1-(7-ethyl-1-benzofuran-2-yl)butan-1-one
CID 65427841
1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one
CID 65427273
1-(2-fluoro-4-methylphenyl)butan-1-one
CID 83957348
7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid
CID 121414290
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
1-(3-chloro-4-fluorophenyl)butan-1-one
CID 63093976
1-(7-fluoro-1-benzofuran-2-yl)-4-methoxybutan-1-one
CID 114725347
4-chloro-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114725511
1-(5-tert-butyl-2-fluorophenyl)butan-1-one
CID 83988546
1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 62619864

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one?
The IUPAC name of 1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one (CID 65428423) is 1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one.
What is the SMILES notation for 1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one?
The canonical SMILES for 1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one is CCCC(=O)c1cc2c(C)ccc(F)c2o1.
What is the InChIKey of 1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one?
The InChIKey is DJWJMXRTEWZFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c1-3-4-11(15)12-7-9-8(2)5-6-10(14)13(9)16-12/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one?
1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one has a molecular weight of 220.24 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-4-methyl-1-benzofuran-2-yl)butan-1-one is sourced from PubChem (CID 65428423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).