ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate

C19H16FNO2 — CID 141297667

IUPACethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2F)cc1-c1ccccc1
InChIInChI=1S/C19H16FNO2/c1-2-23-19(22)18-15(13-8-4-3-5-9-13)12-17(21-18)14-10-6-7-11-16(14)20/h3-12,21H,2H2,1H3
InChIKeyDWHGZIDOSPMOKB-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.66
Rot. Bonds4

About ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate

ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate (PubChem CID 141297667) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
PubChem CID141297667
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Nameethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2F)cc1-c1ccccc1
InChIInChI=1S/C19H16FNO2/c1-2-23-19(22)18-15(13-8-4-3-5-9-13)12-17(21-18)14-10-6-7-11-16(14)20/h3-12,21H,2H2,1H3
InChIKeyDWHGZIDOSPMOKB-UHFFFAOYSA-N
XLogP4.66
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 3,5-difluoro-1H-pyrrole-2-carboxylate
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ethyl 2-(4-fluorophenyl)benzoate
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ethyl 3-(3-fluorophenyl)-1H-pyrrole-2-carboxylate
CID 79324807
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate (CID 141297667) is ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(-c2ccccc2F)cc1-c1ccccc1.
What is the InChIKey of ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate?
The InChIKey is DWHGZIDOSPMOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c1-2-23-19(22)18-15(13-8-4-3-5-9-13)12-17(21-18)14-10-6-7-11-16(14)20/h3-12,21H,2H2,1H3.
What are the key properties of ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate?
ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 141297667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).