2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone

C18H18FNO2 — CID 2927893

IUPAC2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C18H18FNO2/c19-16-6-8-17(9-7-16)22-13-18(21)20-11-10-15(12-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2
InChIKeyANUKJHFVMGMZPB-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.22
Rot. Bonds4

About 2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone

2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone (PubChem CID 2927893) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone
PubChem CID2927893
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C18H18FNO2/c19-16-6-8-17(9-7-16)22-13-18(21)20-11-10-15(12-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2
InChIKeyANUKJHFVMGMZPB-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone (CID 2927893) is 2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone is O=C(COc1ccc(F)cc1)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The InChIKey is ANUKJHFVMGMZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-16-6-8-17(9-7-16)22-13-18(21)20-11-10-15(12-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2.
What are the key properties of 2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone?
2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone has a molecular weight of 299.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 2927893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).