2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole

C12H9ClF3N — CID 54428261

IUPAC2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole
SMILESCc1cc(C(F)(F)F)[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClF3N/c1-7-6-10(12(14,15)16)17-11(7)8-2-4-9(13)5-3-8/h2-6,17H,1H3
InChIKeyWFQWMTOHPMIIHF-UHFFFAOYSA-N
MW259.66 g/mol
LogP4.66
Rot. Bonds1

About 2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole

2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole (PubChem CID 54428261) has the molecular formula C12H9ClF3N and a molecular weight of 259.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole
PubChem CID54428261
Molecular FormulaC12H9ClF3N
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Name2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole
SMILESCc1cc(C(F)(F)F)[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClF3N/c1-7-6-10(12(14,15)16)17-11(7)8-2-4-9(13)5-3-8/h2-6,17H,1H3
InChIKeyWFQWMTOHPMIIHF-UHFFFAOYSA-N
XLogP4.66
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole (CID 54428261) is 2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole is Cc1cc(C(F)(F)F)[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole?
The InChIKey is WFQWMTOHPMIIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N/c1-7-6-10(12(14,15)16)17-11(7)8-2-4-9(13)5-3-8/h2-6,17H,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole?
2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole has a molecular weight of 259.66 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methyl-5-(trifluoromethyl)-1H-pyrrole is sourced from PubChem (CID 54428261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).