5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole

C6H7BrF3N — CID 175382913

IUPAC5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
SMILESCC1NC(Br)=CC1C(F)(F)F
InChIInChI=1S/C6H7BrF3N/c1-3-4(6(8,9)10)2-5(7)11-3/h2-4,11H,1H3
InChIKeyFPVNEOVNYCEAFK-UHFFFAOYSA-N
MW230.03 g/mol
LogP2.39
Rot. Bonds

About 5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole

5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole (PubChem CID 175382913) has the molecular formula C6H7BrF3N and a molecular weight of 230.03 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
PubChem CID175382913
Molecular FormulaC6H7BrF3N
Molecular Weight230.03 g/mol
Exact Mass228.97
IUPAC Name5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
SMILESCC1NC(Br)=CC1C(F)(F)F
InChIInChI=1S/C6H7BrF3N/c1-3-4(6(8,9)10)2-5(7)11-3/h2-4,11H,1H3
InChIKeyFPVNEOVNYCEAFK-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.03
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole (CID 175382913) is 5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole is CC1NC(Br)=CC1C(F)(F)F.
What is the InChIKey of 5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
The InChIKey is FPVNEOVNYCEAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF3N/c1-3-4(6(8,9)10)2-5(7)11-3/h2-4,11H,1H3.
What are the key properties of 5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole has a molecular weight of 230.03 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 175382913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).