1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione

C19H20FNO3 — CID 110421538

IUPAC1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCC(c2ccco2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO3/c20-16-8-6-14(7-9-16)17(22)3-1-5-19(23)21-11-10-15(13-21)18-4-2-12-24-18/h2,4,6-9,12,15H,1,3,5,10-11,13H2
InChIKeyMKZFYQRVIDJTON-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.79
Rot. Bonds6

About 1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione

1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione (PubChem CID 110421538) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione
PubChem CID110421538
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCC(c2ccco2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO3/c20-16-8-6-14(7-9-16)17(22)3-1-5-19(23)21-11-10-15(13-21)18-4-2-12-24-18/h2,4,6-9,12,15H,1,3,5,10-11,13H2
InChIKeyMKZFYQRVIDJTON-UHFFFAOYSA-N
XLogP3.79
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[3-(furan-2-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 110667373
3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 110619870
(3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 110612224
1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione
CID 110304886
3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110424560
1-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)butane-1,4-dione
CID 110310053
1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione
CID 110298115
[3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110667359
3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide
CID 154851372
1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
CID 110416386
1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 110421523

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione (CID 110421538) is 1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione is O=C(CCCC(=O)N1CCC(c2ccco2)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione?
The InChIKey is MKZFYQRVIDJTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-16-8-6-14(7-9-16)17(22)3-1-5-19(23)21-11-10-15(13-21)18-4-2-12-24-18/h2,4,6-9,12,15H,1,3,5,10-11,13H2.
What are the key properties of 1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione?
1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione has a molecular weight of 329.37 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione is sourced from PubChem (CID 110421538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).