2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole

C13H12F3N — CID 15993162

IUPAC2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole
SMILESCc1ccc(C)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3N/c1-9-7-8-10(2)17(9)12-6-4-3-5-11(12)13(14,15)16/h3-8H,1-2H3
InChIKeyRXYYBCWWVVOBNE-UHFFFAOYSA-N
MW239.24 g/mol
LogP4.11
Rot. Bonds1

About 2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole

2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole (PubChem CID 15993162) has the molecular formula C13H12F3N and a molecular weight of 239.24 g/mol. Its IUPAC name is 2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole
PubChem CID15993162
Molecular FormulaC13H12F3N
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole
SMILESCc1ccc(C)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3N/c1-9-7-8-10(2)17(9)12-6-4-3-5-11(12)13(14,15)16/h3-8H,1-2H3
InChIKeyRXYYBCWWVVOBNE-UHFFFAOYSA-N
XLogP4.11
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

Sib 1893
CID 5311432
2,3,6-Trimethylpyridine
CID 15100
2,5-Dimethyl-1-phenylpyrrole
CID 66518
1,2-Dimethylindole
CID 13408
2-Methyl-5-phenyl-1H-pyrrole
CID 200981
2-(Difluoromethyl)quinoline
CID 19735819
2,5-Dimethyl-1-phenethyl-1H-pyrrole
CID 2442134
Benzoselenazole, 2,5-dimethyl-
CID 76065
2-Methyl-6-phenylpyridine
CID 2762885
2-(Trifluoromethyl)quinoline
CID 2777805
1-(4-Cyanophenyl)-2,5-dimethylpyrrole
CID 3787857
3-(2,5-Dimethyl-pyrrol-1-yl)-4-methyl-phenylamine
CID 650248

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole?
The IUPAC name of 2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole (CID 15993162) is 2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole?
The canonical SMILES for 2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole is Cc1ccc(C)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole?
The InChIKey is RXYYBCWWVVOBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N/c1-9-7-8-10(2)17(9)12-6-4-3-5-11(12)13(14,15)16/h3-8H,1-2H3.
What are the key properties of 2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole?
2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole has a molecular weight of 239.24 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole is sourced from PubChem (CID 15993162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).