3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole

C23H25FN2 — CID 14578742

IUPAC3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole
SMILESCC(C)c1cc(-c2ccc(F)cc2)c(-c2ccccc2)n1N1CCCC1
InChIInChI=1S/C23H25FN2/c1-17(2)22-16-21(18-10-12-20(24)13-11-18)23(19-8-4-3-5-9-19)26(22)25-14-6-7-15-25/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3
InChIKeyJYNDQOYELRTMCL-UHFFFAOYSA-N
MW348.47 g/mol
LogP5.82
Rot. Bonds4

About 3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole

3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole (PubChem CID 14578742) has the molecular formula C23H25FN2 and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole
PubChem CID14578742
Molecular FormulaC23H25FN2
Molecular Weight348.47 g/mol
Exact Mass348.20
IUPAC Name3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole
SMILESCC(C)c1cc(-c2ccc(F)cc2)c(-c2ccccc2)n1N1CCCC1
InChIInChI=1S/C23H25FN2/c1-17(2)22-16-21(18-10-12-20(24)13-11-18)23(19-8-4-3-5-9-19)26(22)25-14-6-7-15-25/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3
InChIKeyJYNDQOYELRTMCL-UHFFFAOYSA-N
XLogP5.82
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole?
The IUPAC name of 3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole (CID 14578742) is 3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole.
What is the SMILES notation for 3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole?
The canonical SMILES for 3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole is CC(C)c1cc(-c2ccc(F)cc2)c(-c2ccccc2)n1N1CCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole?
The InChIKey is JYNDQOYELRTMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2/c1-17(2)22-16-21(18-10-12-20(24)13-11-18)23(19-8-4-3-5-9-19)26(22)25-14-6-7-15-25/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole?
3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole has a molecular weight of 348.47 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-phenyl-5-propan-2-yl-1-pyrrolidin-1-ylpyrrole is sourced from PubChem (CID 14578742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).