2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole

C13H12F3NO — CID 2741190

IUPAC2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole
SMILESCc1ccc(C)n1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO/c1-9-3-4-10(2)17(9)11-5-7-12(8-6-11)18-13(14,15)16/h3-8H,1-2H3
InChIKeyHNAQUEANQVJFFD-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.99
Rot. Bonds2

About 2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole

2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole (PubChem CID 2741190) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole
PubChem CID2741190
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole
SMILESCc1ccc(C)n1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO/c1-9-3-4-10(2)17(9)11-5-7-12(8-6-11)18-13(14,15)16/h3-8H,1-2H3
InChIKeyHNAQUEANQVJFFD-UHFFFAOYSA-N
XLogP3.99
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-6-(trifluoromethyl)pyridine
CID 46739474
1-(4-Methoxyphenyl)-1H-pyrrole
CID 272427
3-(2,5-Dimethyl-pyrrol-1-yl)-4-methoxy-phenylamine
CID 776878
1-[(1,5-Dimethylpyrrol-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2815628
4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenol
CID 1283353
1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole
CID 608518
N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline
CID 681154
1-[4-(Difluoromethoxy)phenyl]-2,5-dimethylpyrrole
CID 2374190
2-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl}methylene)malononitrile
CID 2741862
2-[1-(4-Methoxyphenyl)pyrrol-2-yl]ethanamine
CID 44388919
2-(2,5-Dimethyl-1H-pyrrol-1-YL)-5-methoxyphenylamine
CID 767156
1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole
CID 835142

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole?
The IUPAC name of 2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole (CID 2741190) is 2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole?
The canonical SMILES for 2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole is Cc1ccc(C)n1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole?
The InChIKey is HNAQUEANQVJFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-9-3-4-10(2)17(9)11-5-7-12(8-6-11)18-13(14,15)16/h3-8H,1-2H3.
What are the key properties of 2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole?
2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole has a molecular weight of 255.24 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole is sourced from PubChem (CID 2741190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).