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

C15H14F3NO2 — CID 117222284

IUPACmethyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate
SMILESCCn1c(C(=O)OC)ccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO2/c1-3-19-12(8-9-13(19)14(20)21-2)10-6-4-5-7-11(10)15(16,17)18/h4-9H,3H2,1-2H3
InChIKeyQNPQZCPKOJWWQI-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.98
Rot. Bonds3

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

methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate (PubChem CID 117222284) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate
PubChem CID117222284
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Namemethyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate
SMILESCCn1c(C(=O)OC)ccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO2/c1-3-19-12(8-9-13(19)14(20)21-2)10-6-4-5-7-11(10)15(16,17)18/h4-9H,3H2,1-2H3
InChIKeyQNPQZCPKOJWWQI-UHFFFAOYSA-N
XLogP3.98
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate 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

methyl 2-(trifluoromethyl)benzoate
CID 2775578
methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634494
methyl 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]benzoate
CID 118846081
methyl 1-propan-2-yl-4-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate
CID 117223379
methyl 4-(bromomethyl)-2-[2-(trifluoromethyl)phenyl]benzoate
CID 23436459
methyl 2-ethyl-6-(trifluoromethyl)benzoate
CID 162602543
methyl 3-chloro-4-[2-(trifluoromethyl)phenyl]benzoate
CID 66718347
methyl 2-bromo-5-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 106510283
methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate
CID 117222442
methyl 2-amino-3-[4-[2-(trifluoromethyl)phenyl]phenyl]propanoate
CID 170883863
methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635594
methyl 3-amino-5-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylate
CID 43155499

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate (CID 117222284) is methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate is CCn1c(C(=O)OC)ccc1-c1ccccc1C(F)(F)F.
What is the InChIKey of methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate?
The InChIKey is QNPQZCPKOJWWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-3-19-12(8-9-13(19)14(20)21-2)10-6-4-5-7-11(10)15(16,17)18/h4-9H,3H2,1-2H3.
What are the key properties of methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate?
methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate has a molecular weight of 297.28 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate is sourced from PubChem (CID 117222284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).