ethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate

C19H19ClF3NO2 — CID 134442918

IUPACethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)c1Cl
InChIInChI=1S/C19H19ClF3NO2/c1-2-26-18(25)14-11-16(24(17(14)20)12-7-3-4-8-12)13-9-5-6-10-15(13)19(21,22)23/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeyXQJAHAIYZPJYQF-UHFFFAOYSA-N
MW385.81 g/mol
LogP6.12
Rot. Bonds4

About ethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate

ethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate (PubChem CID 134442918) has the molecular formula C19H19ClF3NO2 and a molecular weight of 385.81 g/mol. Its IUPAC name is ethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate
PubChem CID134442918
Molecular FormulaC19H19ClF3NO2
Molecular Weight385.81 g/mol
Exact Mass385.11
IUPAC Nameethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)c1Cl
InChIInChI=1S/C19H19ClF3NO2/c1-2-26-18(25)14-11-16(24(17(14)20)12-7-3-4-8-12)13-9-5-6-10-15(13)19(21,22)23/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeyXQJAHAIYZPJYQF-UHFFFAOYSA-N
XLogP6.12
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.81
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-chloro-5-methyl-4-[2-(trifluoromethyl)phenyl]cyclopenta-1,4-diene-1-carboxylate
CID 159632933
ethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate
CID 59015787
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
ethyl 1-methyl-3-[2-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate
CID 139934970
ethyl 2-(1,1,2,2,2-pentafluoroethyl)benzoate
CID 53392900
ethyl 1,5-diphenyl-2-(trifluoromethyl)pyrrole-3-carboxylate
CID 134834275
ethyl 2-bromo-3-(trifluoromethyl)benzoate
CID 46311280
ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3-carboxylate
CID 134442667
ethyl 3,5-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxylate
CID 59807541
cyclohexanol;diethyl benzene-1,2-dicarboxylate
CID 157482409
[2-(2,2,2-trifluoroethoxy)phenyl]methyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 167931212
ethyl 2-chloro-3-fluoro-4-(trifluoromethyl)benzoate
CID 146277617

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate (CID 134442918) is ethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)c1Cl.
What is the InChIKey of ethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate?
The InChIKey is XQJAHAIYZPJYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO2/c1-2-26-18(25)14-11-16(24(17(14)20)12-7-3-4-8-12)13-9-5-6-10-15(13)19(21,22)23/h5-6,9-12H,2-4,7-8H2,1H3.
What are the key properties of ethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate?
ethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate has a molecular weight of 385.81 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate is sourced from PubChem (CID 134442918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).