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

C14H10BrF2NS — CID 11290806

IUPAC2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(Br)s2)CC1
InChIInChI=1S/C14H10BrF2NS/c15-13-7-6-12(19-13)10-4-5-11(18-10)14-8(16)2-1-3-9(14)17/h1-3,6-7,10H,4-5H2
InChIKeyAFGVKTHLPGYTKX-UHFFFAOYSA-N
MW342.21 g/mol
LogP5.11
Rot. Bonds2

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

2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 11290806) has the molecular formula C14H10BrF2NS and a molecular weight of 342.21 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID11290806
Molecular FormulaC14H10BrF2NS
Molecular Weight342.21 g/mol
Exact Mass340.97
IUPAC Name2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(Br)s2)CC1
InChIInChI=1S/C14H10BrF2NS/c15-13-7-6-12(19-13)10-4-5-11(18-10)14-8(16)2-1-3-9(14)17/h1-3,6-7,10H,4-5H2
InChIKeyAFGVKTHLPGYTKX-UHFFFAOYSA-N
XLogP5.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.21
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole (CID 11290806) is 2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1cccc(F)c1C1=NC(c2ccc(Br)s2)CC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is AFGVKTHLPGYTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NS/c15-13-7-6-12(19-13)10-4-5-11(18-10)14-8(16)2-1-3-9(14)17/h1-3,6-7,10H,4-5H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 342.21 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 11290806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).