2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone

C14H14FNO2 — CID 114736987

IUPAC2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone
SMILESNC1(CC(=O)c2cc3cccc(F)c3o2)CCC1
InChIInChI=1S/C14H14FNO2/c15-10-4-1-3-9-7-12(18-13(9)10)11(17)8-14(16)5-2-6-14/h1,3-4,7H,2,5-6,8,16H2
InChIKeyOQTZBUCPMJAARZ-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.03
Rot. Bonds3

About 2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone

2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone (PubChem CID 114736987) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone
PubChem CID114736987
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone
SMILESNC1(CC(=O)c2cc3cccc(F)c3o2)CCC1
InChIInChI=1S/C14H14FNO2/c15-10-4-1-3-9-7-12(18-13(9)10)11(17)8-14(16)5-2-6-14/h1,3-4,7H,2,5-6,8,16H2
InChIKeyOQTZBUCPMJAARZ-UHFFFAOYSA-N
XLogP3.03
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737168
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
4-chloro-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114725511
[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114725645
2-[1-(aminomethyl)cyclobutyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737144
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114725353
1-(7-fluoro-1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
CID 114736948
7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide
CID 111485827
2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone
CID 116578623
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 105132886
1-(7-fluoro-1-benzofuran-2-yl)-4-methoxybutan-1-one
CID 114725347

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone (CID 114736987) is 2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone is NC1(CC(=O)c2cc3cccc(F)c3o2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone?
The InChIKey is OQTZBUCPMJAARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-10-4-1-3-9-7-12(18-13(9)10)11(17)8-14(16)5-2-6-14/h1,3-4,7H,2,5-6,8,16H2.
What are the key properties of 2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone?
2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone has a molecular weight of 247.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 114736987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).