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

C16H12BrF2N — CID 10268649

IUPAC2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H12BrF2N/c17-11-6-4-10(5-7-11)14-8-9-15(20-14)16-12(18)2-1-3-13(16)19/h1-7,14H,8-9H2
InChIKeyYRUSDPXROXBLGQ-UHFFFAOYSA-N
MW336.18 g/mol
LogP5.05
Rot. Bonds2

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

2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 10268649) has the molecular formula C16H12BrF2N and a molecular weight of 336.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID10268649
Molecular FormulaC16H12BrF2N
Molecular Weight336.18 g/mol
Exact Mass335.01
IUPAC Name2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H12BrF2N/c17-11-6-4-10(5-7-11)14-8-9-15(20-14)16-12(18)2-1-3-13(16)19/h1-7,14H,8-9H2
InChIKeyYRUSDPXROXBLGQ-UHFFFAOYSA-N
XLogP5.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.18
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole (CID 10268649) is 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1cccc(F)c1C1=NC(c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is YRUSDPXROXBLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2N/c17-11-6-4-10(5-7-11)14-8-9-15(20-14)16-12(18)2-1-3-13(16)19/h1-7,14H,8-9H2.
What are the key properties of 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 336.18 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 10268649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).