1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one

C10H9BrFNO — CID 11345908

IUPAC1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one
SMILESO=C1CC(F)N1Cc1ccc(Br)cc1
InChIInChI=1S/C10H9BrFNO/c11-8-3-1-7(2-4-8)6-13-9(12)5-10(13)14/h1-4,9H,5-6H2
InChIKeyTVBLMSQRNNDORB-UHFFFAOYSA-N
MW258.09 g/mol
LogP2.48
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one

1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one (PubChem CID 11345908) has the molecular formula C10H9BrFNO and a molecular weight of 258.09 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one
PubChem CID11345908
Molecular FormulaC10H9BrFNO
Molecular Weight258.09 g/mol
Exact Mass256.99
IUPAC Name1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one
SMILESO=C1CC(F)N1Cc1ccc(Br)cc1
InChIInChI=1S/C10H9BrFNO/c11-8-3-1-7(2-4-8)6-13-9(12)5-10(13)14/h1-4,9H,5-6H2
InChIKeyTVBLMSQRNNDORB-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
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4-(4-Bromophenyl)azetidin-2-one
CID 13594296
N-(4-Bromobenzyl)Acrylamide
CID 57251115
N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide
CID 556297
4-Bromo-N,N-diethyl-2-fluorobenzamide
CID 24694026
N-((4-Bromophenyl)methyl)acetamide
CID 15640188
1-[(2-Bromophenyl)methyl]pyrrolidin-2-one
CID 58768265
N-[(4-bromophenyl)methyl]-N-prop-2-ynylacetamide
CID 155552504
N-[(4-bromo-2-fluorophenyl)methyl]prop-2-enamide
CID 178321985
N-(alpha-Cyano-4-bromobenzyl)-N-allyltrifluoroacetamide
CID 9841191
1-Benzyl-4-fluoroazetidin-2-one
CID 10375006

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one (CID 11345908) is 1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one is O=C1CC(F)N1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one?
The InChIKey is TVBLMSQRNNDORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO/c11-8-3-1-7(2-4-8)6-13-9(12)5-10(13)14/h1-4,9H,5-6H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one?
1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one has a molecular weight of 258.09 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-fluoroazetidin-2-one is sourced from PubChem (CID 11345908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).