ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate

C19H15F2NO2 — CID 14498216

IUPACethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(-c2ccc(F)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H15F2NO2/c1-2-24-19(23)18-17(13-5-9-15(21)10-6-13)16(11-22-18)12-3-7-14(20)8-4-12/h3-11,22H,2H2,1H3
InChIKeyHFUWMTZNQAPVGM-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.80
Rot. Bonds4

About ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate

ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate (PubChem CID 14498216) has the molecular formula C19H15F2NO2 and a molecular weight of 327.33 g/mol. Its IUPAC name is ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate
PubChem CID14498216
Molecular FormulaC19H15F2NO2
Molecular Weight327.33 g/mol
Exact Mass327.11
IUPAC Nameethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(-c2ccc(F)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H15F2NO2/c1-2-24-19(23)18-17(13-5-9-15(21)10-6-13)16(11-22-18)12-3-7-14(20)8-4-12/h3-11,22H,2H2,1H3
InChIKeyHFUWMTZNQAPVGM-UHFFFAOYSA-N
XLogP4.80
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate
CID 59988458
ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 137331754
ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 90717630
diethyl 3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2,4-dicarboxylate
CID 122228258
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
CID 66771917
ethyl 3-phenyl-4-(trifluoromethyl)-1H-pyrrole-2-carboxylate
CID 11346607
ethyl 6-(4-fluorophenyl)-2-hydroxy-3,4-diphenylbenzoate
CID 132550879
ethyl 3-(4-fluorophenyl)furan-2-carboxylate
CID 169200046
diethyl 3,6-bis(4-fluorophenyl)thieno[3,2-b]thiophene-2,5-dicarboxylate
CID 134386122
ethyl 3,4-difluoro-1H-pyrrole-2-carboxylate
CID 164851464
diethyl 3-(4-nitrophenyl)-1H-pyrrole-2,4-dicarboxylate
CID 134695151

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate (CID 14498216) is ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(-c2ccc(F)cc2)c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate?
The InChIKey is HFUWMTZNQAPVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2/c1-2-24-19(23)18-17(13-5-9-15(21)10-6-13)16(11-22-18)12-3-7-14(20)8-4-12/h3-11,22H,2H2,1H3.
What are the key properties of ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate?
ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate has a molecular weight of 327.33 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 14498216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).