2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole

C16H20FN — CID 123281096

IUPAC2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole
SMILESCCCC1=CC(c2ccc(F)c(C)c2)=NC1CC
InChIInChI=1S/C16H20FN/c1-4-6-12-10-16(18-15(12)5-2)13-7-8-14(17)11(3)9-13/h7-10,15H,4-6H2,1-3H3
InChIKeyCCYCTUOOMNUARA-UHFFFAOYSA-N
MW245.34 g/mol
LogP4.44
Rot. Bonds4

About 2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole

2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole (PubChem CID 123281096) has the molecular formula C16H20FN and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole.

Molecular Properties

Compound Name2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole
PubChem CID123281096
Molecular FormulaC16H20FN
Molecular Weight245.34 g/mol
Exact Mass245.16
IUPAC Name2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole
SMILESCCCC1=CC(c2ccc(F)c(C)c2)=NC1CC
InChIInChI=1S/C16H20FN/c1-4-6-12-10-16(18-15(12)5-2)13-7-8-14(17)11(3)9-13/h7-10,15H,4-6H2,1-3H3
InChIKeyCCYCTUOOMNUARA-UHFFFAOYSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole?
The IUPAC name of 2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole (CID 123281096) is 2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole.
What is the SMILES notation for 2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole?
The canonical SMILES for 2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole is CCCC1=CC(c2ccc(F)c(C)c2)=NC1CC.
What is the InChIKey of 2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole?
The InChIKey is CCYCTUOOMNUARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN/c1-4-6-12-10-16(18-15(12)5-2)13-7-8-14(17)11(3)9-13/h7-10,15H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole?
2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole has a molecular weight of 245.34 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-fluoro-3-methylphenyl)-3-propyl-2H-pyrrole is sourced from PubChem (CID 123281096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).