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

C16H12BrF2N — CID 58915223

IUPAC5-(2-bromophenyl)-2-(3,4-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2CCC(c3ccccc3Br)=N2)cc1F
InChIInChI=1S/C16H12BrF2N/c17-12-4-2-1-3-11(12)16-8-7-15(20-16)10-5-6-13(18)14(19)9-10/h1-6,9,15H,7-8H2
InChIKeyRYBBPSCRBHXMPN-UHFFFAOYSA-N
MW336.18 g/mol
LogP5.05
Rot. Bonds2

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

5-(2-bromophenyl)-2-(3,4-difluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58915223) has the molecular formula C16H12BrF2N and a molecular weight of 336.18 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-(3,4-difluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-(3,4-difluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID58915223
Molecular FormulaC16H12BrF2N
Molecular Weight336.18 g/mol
Exact Mass335.01
IUPAC Name5-(2-bromophenyl)-2-(3,4-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2CCC(c3ccccc3Br)=N2)cc1F
InChIInChI=1S/C16H12BrF2N/c17-12-4-2-1-3-11(12)16-8-7-15(20-16)10-5-6-13(18)14(19)9-10/h1-6,9,15H,7-8H2
InChIKeyRYBBPSCRBHXMPN-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 5-(2-bromophenyl)-2-(3,4-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-bromophenyl)-2-(3,4-difluorophenyl)-3,4-dihydro-2H-pyrrole (CID 58915223) is 5-(2-bromophenyl)-2-(3,4-difluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-bromophenyl)-2-(3,4-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-bromophenyl)-2-(3,4-difluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1ccc(C2CCC(c3ccccc3Br)=N2)cc1F.
What is the InChIKey of 5-(2-bromophenyl)-2-(3,4-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is RYBBPSCRBHXMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2N/c17-12-4-2-1-3-11(12)16-8-7-15(20-16)10-5-6-13(18)14(19)9-10/h1-6,9,15H,7-8H2.
What are the key properties of 5-(2-bromophenyl)-2-(3,4-difluorophenyl)-3,4-dihydro-2H-pyrrole?
5-(2-bromophenyl)-2-(3,4-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 5-(2-bromophenyl)-2-(3,4-difluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).