2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole

C17H16FNO — CID 156884707

IUPAC2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole
SMILESFc1ccc(OCc2ccccc2)c(C2C=CCN2)c1
InChIInChI=1S/C17H16FNO/c18-14-8-9-17(15(11-14)16-7-4-10-19-16)20-12-13-5-2-1-3-6-13/h1-9,11,16,19H,10,12H2
InChIKeyZBCGKXGLWBHWAS-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.61
Rot. Bonds4

About 2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole

2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole (PubChem CID 156884707) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole
PubChem CID156884707
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole
SMILESFc1ccc(OCc2ccccc2)c(C2C=CCN2)c1
InChIInChI=1S/C17H16FNO/c18-14-8-9-17(15(11-14)16-7-4-10-19-16)20-12-13-5-2-1-3-6-13/h1-9,11,16,19H,10,12H2
InChIKeyZBCGKXGLWBHWAS-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole (CID 156884707) is 2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole is Fc1ccc(OCc2ccccc2)c(C2C=CCN2)c1.
What is the InChIKey of 2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole?
The InChIKey is ZBCGKXGLWBHWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-14-8-9-17(15(11-14)16-7-4-10-19-16)20-12-13-5-2-1-3-6-13/h1-9,11,16,19H,10,12H2.
What are the key properties of 2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole?
2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole has a molecular weight of 269.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-phenylmethoxyphenyl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 156884707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).