1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one

C11H10Br2FNO — CID 168505696

IUPAC1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccc(F)cc1Br
InChIInChI=1S/C11H10Br2FNO/c12-5-7-3-11(16)15(6-7)10-2-1-8(14)4-9(10)13/h1-2,4,7H,3,5-6H2
InChIKeyUVMJMMXBHRBSHL-UHFFFAOYSA-N
MW351.01 g/mol
LogP3.34
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one

1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one (PubChem CID 168505696) has the molecular formula C11H10Br2FNO and a molecular weight of 351.01 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one
PubChem CID168505696
Molecular FormulaC11H10Br2FNO
Molecular Weight351.01 g/mol
Exact Mass348.91
IUPAC Name1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccc(F)cc1Br
InChIInChI=1S/C11H10Br2FNO/c12-5-7-3-11(16)15(6-7)10-2-1-8(14)4-9(10)13/h1-2,4,7H,3,5-6H2
InChIKeyUVMJMMXBHRBSHL-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.01
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509018
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
1-(4-bromo-3-chloro-2-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505656
1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505646
1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505649
1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505260
4-(bromomethyl)-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one
CID 168505729
1-(2-amino-4-iodophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505712
4-(azidomethyl)-1-(2-bromo-5-fluorophenyl)pyrrolidin-2-one
CID 168657674
4-(bromomethyl)-1-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 168505640
4-(bromomethyl)-1-(2-hydroxy-4-methylphenyl)pyrrolidin-2-one
CID 168504445
4-(bromomethyl)-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168505671

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one (CID 168505696) is 1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one is O=C1CC(CBr)CN1c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one?
The InChIKey is UVMJMMXBHRBSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2FNO/c12-5-7-3-11(16)15(6-7)10-2-1-8(14)4-9(10)13/h1-2,4,7H,3,5-6H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one?
1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one has a molecular weight of 351.01 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168505696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).