2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole

C14H14F3NO — CID 138513968

IUPAC2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole
SMILESCCc1ccc(C)n1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO/c1-3-11-5-4-10(2)18(11)12-6-8-13(9-7-12)19-14(15,16)17/h4-9H,3H2,1-2H3
InChIKeyDMTAXEKCIWKLSS-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.25
Rot. Bonds3

About 2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole

2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole (PubChem CID 138513968) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole
PubChem CID138513968
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole
SMILESCCc1ccc(C)n1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO/c1-3-11-5-4-10(2)18(11)12-6-8-13(9-7-12)19-14(15,16)17/h4-9H,3H2,1-2H3
InChIKeyDMTAXEKCIWKLSS-UHFFFAOYSA-N
XLogP4.25
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole with MolForge

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

Launch Full Analysis

Related Compounds

CID 272427
CID 272427
CID 776878
CID 776878
CID 1283353
CID 1283353
CID 608518
CID 608518
CID 2741190
CID 2741190
CID 2374190
CID 2374190
CID 2741862
CID 2741862
CID 767156
CID 767156
CID 835142
CID 835142
CID 20983279
CID 20983279
CID 846041
CID 846041
CID 49836902
CID 49836902

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole?
The IUPAC name of 2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole (CID 138513968) is 2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole.
What is the SMILES notation for 2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole?
The canonical SMILES for 2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole is CCc1ccc(C)n1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole?
The InChIKey is DMTAXEKCIWKLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-3-11-5-4-10(2)18(11)12-6-8-13(9-7-12)19-14(15,16)17/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole?
2-ethyl-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrrole has a molecular weight of 269.27 g/mol, XLogP of 4.25, 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-[4-(trifluoromethoxy)phenyl]pyrrole is sourced from PubChem (CID 138513968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).