1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone

C18H22FNO5 — CID 158069465

IUPAC1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone
SMILESCC(=O)N1CCCC1.CC(=O)c1ccc(F)o1.CC(=O)c1ccco1
InChIInChI=1S/C6H5FO2.C6H11NO.C6H6O2/c1-4(8)5-2-3-6(7)9-5;1-6(8)7-4-2-3-5-7;1-5(7)6-3-2-4-8-6/h2-3H,1H3;2-5H2,1H3;2-4H,1H3
InChIKeyFLQMROXAJBZMAK-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.73
Rot. Bonds2

About 1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone

1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone (PubChem CID 158069465) has the molecular formula C18H22FNO5 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone
PubChem CID158069465
Molecular FormulaC18H22FNO5
Molecular Weight351.37 g/mol
Exact Mass351.15
IUPAC Name1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone
SMILESCC(=O)N1CCCC1.CC(=O)c1ccc(F)o1.CC(=O)c1ccco1
InChIInChI=1S/C6H5FO2.C6H11NO.C6H6O2/c1-4(8)5-2-3-6(7)9-5;1-6(8)7-4-2-3-5-7;1-5(7)6-3-2-4-8-6/h2-3H,1H3;2-5H2,1H3;2-4H,1H3
InChIKeyFLQMROXAJBZMAK-UHFFFAOYSA-N
XLogP3.73
TPSA80.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl(furan-2-yl)methanone
CID 5200992
N-(furan-2-carbonyl)pyrrolidine-1-carboxamide
CID 110865962
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
furan-2-yl(pyrrolidin-1-yl)methanethione
CID 25148579
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 60715665
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone (CID 158069465) is 1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone is CC(=O)N1CCCC1.CC(=O)c1ccc(F)o1.CC(=O)c1ccco1.
What is the InChIKey of 1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone?
The InChIKey is FLQMROXAJBZMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO2.C6H11NO.C6H6O2/c1-4(8)5-2-3-6(7)9-5;1-6(8)7-4-2-3-5-7;1-5(7)6-3-2-4-8-6/h2-3H,1H3;2-5H2,1H3;2-4H,1H3.
What are the key properties of 1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone?
1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone has a molecular weight of 351.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 158069465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).