2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde

C15H14F3NO — CID 142674650

IUPAC2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde
SMILESCCc1c(C=O)cc(C)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO/c1-3-13-11(9-20)8-10(2)19(13)14-7-5-4-6-12(14)15(16,17)18/h4-9H,3H2,1-2H3
InChIKeyMVUWQWMAQXLBSW-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.18
Rot. Bonds3

About 2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde

2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde (PubChem CID 142674650) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde
PubChem CID142674650
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde
SMILESCCc1c(C=O)cc(C)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO/c1-3-13-11(9-20)8-10(2)19(13)14-7-5-4-6-12(14)15(16,17)18/h4-9H,3H2,1-2H3
InChIKeyMVUWQWMAQXLBSW-UHFFFAOYSA-N
XLogP4.18
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde 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-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde?
The IUPAC name of 2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde (CID 142674650) is 2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde.
What is the SMILES notation for 2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde?
The canonical SMILES for 2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde is CCc1c(C=O)cc(C)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde?
The InChIKey is MVUWQWMAQXLBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-3-13-11(9-20)8-10(2)19(13)14-7-5-4-6-12(14)15(16,17)18/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde?
2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde has a molecular weight of 281.28 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde is sourced from PubChem (CID 142674650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).