2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone

C10H8FNO2 — CID 117283381

IUPAC2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone
SMILESNCC(=O)c1c(F)ccc2occc12
InChIInChI=1S/C10H8FNO2/c11-7-1-2-9-6(3-4-14-9)10(7)8(13)5-12/h1-4H,5,12H2
InChIKeyRUAZCZUPTGXRDQ-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.71
Rot. Bonds2

About 2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone

2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone (PubChem CID 117283381) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone
PubChem CID117283381
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone
SMILESNCC(=O)c1c(F)ccc2occc12
InChIInChI=1S/C10H8FNO2/c11-7-1-2-9-6(3-4-14-9)10(7)8(13)5-12/h1-4H,5,12H2
InChIKeyRUAZCZUPTGXRDQ-UHFFFAOYSA-N
XLogP1.71
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
CID 117280590
2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
CID 44717362
2-[(3R,4S)-1-(5-fluoro-1-benzofuran-4-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide
CID 167919768
2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride
CID 122361145
5-hydroxy-1-benzofuran-4-carboxamide
CID 121227076
(E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine
CID 117282194
[1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine
CID 117293381
2-(5-fluoro-1-benzofuran-4-yl)propanoic acid
CID 117297072
2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone
CID 117364313
(2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide
CID 167894841
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone?
The IUPAC name of 2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone (CID 117283381) is 2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone is NCC(=O)c1c(F)ccc2occc12.
What is the InChIKey of 2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone?
The InChIKey is RUAZCZUPTGXRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-7-1-2-9-6(3-4-14-9)10(7)8(13)5-12/h1-4H,5,12H2.
What are the key properties of 2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone?
2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone has a molecular weight of 193.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone is sourced from PubChem (CID 117283381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).