2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one

C12H12FNO2 — CID 114736846

IUPAC2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
SMILESCCC(N)C(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H12FNO2/c1-2-9(14)11(15)10-6-7-4-3-5-8(13)12(7)16-10/h3-6,9H,2,14H2,1H3
InChIKeyKYIOTDSEQYEETC-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.49
Rot. Bonds3

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

2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one (PubChem CID 114736846) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
PubChem CID114736846
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
SMILESCCC(N)C(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H12FNO2/c1-2-9(14)11(15)10-6-7-4-3-5-8(13)12(7)16-10/h3-6,9H,2,14H2,1H3
InChIKeyKYIOTDSEQYEETC-UHFFFAOYSA-N
XLogP2.49
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
1-(7-fluoro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone
CID 103458090
3-amino-1-(7-fluoro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737156
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114725353
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737168
1-(7-chloro-1-benzofuran-2-yl)-2-ethylbutan-1-one
CID 115810703
(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047565
2-amino-1-(7-methyl-1-benzofuran-2-yl)-4-methylsulfonylbutan-1-one
CID 114736219
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one?
The IUPAC name of 2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one (CID 114736846) is 2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one.
What is the SMILES notation for 2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one?
The canonical SMILES for 2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one is CCC(N)C(=O)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one?
The InChIKey is KYIOTDSEQYEETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-2-9(14)11(15)10-6-7-4-3-5-8(13)12(7)16-10/h3-6,9H,2,14H2,1H3.
What are the key properties of 2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one?
2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one has a molecular weight of 221.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one is sourced from PubChem (CID 114736846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).