2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole

C17H14FN — CID 11817591

IUPAC2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole
SMILESCc1cc(-c2ccccc2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C17H14FN/c1-12-11-16(13-5-3-2-4-6-13)17(19-12)14-7-9-15(18)10-8-14/h2-11,19H,1H3
InChIKeyPKESEVPYXOQKDT-UHFFFAOYSA-N
MW251.30 g/mol
LogP4.80
Rot. Bonds2

About 2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole

2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole (PubChem CID 11817591) has the molecular formula C17H14FN and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole
PubChem CID11817591
Molecular FormulaC17H14FN
Molecular Weight251.30 g/mol
Exact Mass251.11
IUPAC Name2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole
SMILESCc1cc(-c2ccccc2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C17H14FN/c1-12-11-16(13-5-3-2-4-6-13)17(19-12)14-7-9-15(18)10-8-14/h2-11,19H,1H3
InChIKeyPKESEVPYXOQKDT-UHFFFAOYSA-N
XLogP4.80
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole (CID 11817591) is 2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole is Cc1cc(-c2ccccc2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole?
The InChIKey is PKESEVPYXOQKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN/c1-12-11-16(13-5-3-2-4-6-13)17(19-12)14-7-9-15(18)10-8-14/h2-11,19H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole?
2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole has a molecular weight of 251.30 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole is sourced from PubChem (CID 11817591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).