(5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone

C13H12FNO3 — CID 129197806

IUPAC(5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2cc(F)ccc2o1)N1CCOCC1
InChIInChI=1S/C13H12FNO3/c14-10-1-2-11-9(7-10)8-12(18-11)13(16)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2
InChIKeyGLJQKMHNSPTJQG-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.04
Rot. Bonds1

About (5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone

(5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone (PubChem CID 129197806) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone
PubChem CID129197806
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2cc(F)ccc2o1)N1CCOCC1
InChIInChI=1S/C13H12FNO3/c14-10-1-2-11-9(7-10)8-12(18-11)13(16)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2
InChIKeyGLJQKMHNSPTJQG-UHFFFAOYSA-N
XLogP2.04
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 139002167
1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 139011962
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
(5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128997708
(5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 118763819
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 55929955
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
(5-chloro-1-benzofuran-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 134044267
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 124700748
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 124702462
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone (CID 129197806) is (5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone is O=C(c1cc2cc(F)ccc2o1)N1CCOCC1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The InChIKey is GLJQKMHNSPTJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c14-10-1-2-11-9(7-10)8-12(18-11)13(16)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
(5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone has a molecular weight of 249.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 129197806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).