2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole

C11H9BrClF2N — CID 25215390

IUPAC2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole
SMILESFC1(F)CC(CBr)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C11H9BrClF2N/c12-6-9-5-11(14,15)10(16-9)7-1-3-8(13)4-2-7/h1-4,9H,5-6H2
InChIKeyDAWDFUQYFXTTLS-UHFFFAOYSA-N
MW308.55 g/mol
LogP3.93
Rot. Bonds2

About 2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole

2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole (PubChem CID 25215390) has the molecular formula C11H9BrClF2N and a molecular weight of 308.55 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole.

Molecular Properties

Compound Name2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole
PubChem CID25215390
Molecular FormulaC11H9BrClF2N
Molecular Weight308.55 g/mol
Exact Mass306.96
IUPAC Name2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole
SMILESFC1(F)CC(CBr)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C11H9BrClF2N/c12-6-9-5-11(14,15)10(16-9)7-1-3-8(13)4-2-7/h1-4,9H,5-6H2
InChIKeyDAWDFUQYFXTTLS-UHFFFAOYSA-N
XLogP3.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole?
The IUPAC name of 2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole (CID 25215390) is 2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole.
What is the SMILES notation for 2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole?
The canonical SMILES for 2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole is FC1(F)CC(CBr)N=C1c1ccc(Cl)cc1.
What is the InChIKey of 2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole?
The InChIKey is DAWDFUQYFXTTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClF2N/c12-6-9-5-11(14,15)10(16-9)7-1-3-8(13)4-2-7/h1-4,9H,5-6H2.
What are the key properties of 2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole?
2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole has a molecular weight of 308.55 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole is sourced from PubChem (CID 25215390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).