2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole

C16H11BrF3N — CID 58664401

IUPAC2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cc(Br)ccc1C1CCC(c2c(F)cccc2F)=N1
InChIInChI=1S/C16H11BrF3N/c17-9-4-5-10(13(20)8-9)14-6-7-15(21-14)16-11(18)2-1-3-12(16)19/h1-5,8,14H,6-7H2
InChIKeyIJLGFFHYWMLULE-UHFFFAOYSA-N
MW354.17 g/mol
LogP5.19
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole

2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58664401) has the molecular formula C16H11BrF3N and a molecular weight of 354.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID58664401
Molecular FormulaC16H11BrF3N
Molecular Weight354.17 g/mol
Exact Mass353.00
IUPAC Name2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cc(Br)ccc1C1CCC(c2c(F)cccc2F)=N1
InChIInChI=1S/C16H11BrF3N/c17-9-4-5-10(13(20)8-9)14-6-7-15(21-14)16-11(18)2-1-3-12(16)19/h1-5,8,14H,6-7H2
InChIKeyIJLGFFHYWMLULE-UHFFFAOYSA-N
XLogP5.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.17
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole (CID 58664401) is 2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1cc(Br)ccc1C1CCC(c2c(F)cccc2F)=N1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is IJLGFFHYWMLULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3N/c17-9-4-5-10(13(20)8-9)14-6-7-15(21-14)16-11(18)2-1-3-12(16)19/h1-5,8,14H,6-7H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 354.17 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58664401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).