2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone

C18H20FNO4 — CID 97224650

IUPAC2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC[C@@H]1C[C@@H](O)c1ccco1
InChIInChI=1S/C18H20FNO4/c19-13-5-7-15(8-6-13)24-12-18(22)20-9-1-3-14(20)11-16(21)17-4-2-10-23-17/h2,4-8,10,14,16,21H,1,3,9,11-12H2/t14-,16-/m1/s1
InChIKeyJISRJLOAKUWJOR-GDBMZVCRSA-N
MW333.36 g/mol
LogP2.91
Rot. Bonds6

About 2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone (PubChem CID 97224650) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone
PubChem CID97224650
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Name2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC[C@@H]1C[C@@H](O)c1ccco1
InChIInChI=1S/C18H20FNO4/c19-13-5-7-15(8-6-13)24-12-18(22)20-9-1-3-14(20)11-16(21)17-4-2-10-23-17/h2,4-8,10,14,16,21H,1,3,9,11-12H2/t14-,16-/m1/s1
InChIKeyJISRJLOAKUWJOR-GDBMZVCRSA-N
XLogP2.91
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119630849
(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718768
(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718766
tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
CID 97071886
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid
CID 61009964
(2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97224407
2-(4-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103556
ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate
CID 70735433
1-[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-(3-nitrophenyl)ethanone
CID 97077623
1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 75387548
(5R)-5-[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240250
(5R)-5-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240251

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone (CID 97224650) is 2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone is O=C(COc1ccc(F)cc1)N1CCC[C@@H]1C[C@@H](O)c1ccco1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone?
The InChIKey is JISRJLOAKUWJOR-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H20FNO4/c19-13-5-7-15(8-6-13)24-12-18(22)20-9-1-3-14(20)11-16(21)17-4-2-10-23-17/h2,4-8,10,14,16,21H,1,3,9,11-12H2/t14-,16-/m1/s1.
What are the key properties of 2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone has a molecular weight of 333.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 97224650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).