2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole

C17H13BrF3N — CID 12056592

IUPAC2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)c1ccccc1C1=NC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H13BrF3N/c18-12-7-5-11(6-8-12)15-9-10-16(22-15)13-3-1-2-4-14(13)17(19,20)21/h1-8,15H,9-10H2
InChIKeyGWHFVHUANKZQQX-UHFFFAOYSA-N
MW368.20 g/mol
LogP5.79
Rot. Bonds2

About 2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole

2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 12056592) has the molecular formula C17H13BrF3N and a molecular weight of 368.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID12056592
Molecular FormulaC17H13BrF3N
Molecular Weight368.20 g/mol
Exact Mass367.02
IUPAC Name2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)c1ccccc1C1=NC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H13BrF3N/c18-12-7-5-11(6-8-12)15-9-10-16(22-15)13-3-1-2-4-14(13)17(19,20)21/h1-8,15H,9-10H2
InChIKeyGWHFVHUANKZQQX-UHFFFAOYSA-N
XLogP5.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.20
LogP ≤ 55.79
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-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole (CID 12056592) is 2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole is FC(F)(F)c1ccccc1C1=NC(c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is GWHFVHUANKZQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3N/c18-12-7-5-11(6-8-12)15-9-10-16(22-15)13-3-1-2-4-14(13)17(19,20)21/h1-8,15H,9-10H2.
What are the key properties of 2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole?
2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 368.20 g/mol, XLogP of 5.79, 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-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 12056592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).