2-bromo-2-fluoro-N-methylacetamide

C3H5BrFNO — CID 2782384

IUPAC2-bromo-2-fluoro-N-methylacetamide
SMILESCNC(=O)C(F)Br
InChIInChI=1S/C3H5BrFNO/c1-6-3(7)2(4)5/h2H,1H3,(H,6,7)
InChIKeyMINFGRMBJUDPPR-UHFFFAOYSA-N
MW169.98 g/mol
LogP0.42
Rot. Bonds1

About 2-bromo-2-fluoro-N-methylacetamide

2-bromo-2-fluoro-N-methylacetamide (PubChem CID 2782384) has the molecular formula C3H5BrFNO and a molecular weight of 169.98 g/mol. Its IUPAC name is 2-bromo-2-fluoro-N-methylacetamide.

Molecular Properties

Compound Name2-bromo-2-fluoro-N-methylacetamide
PubChem CID2782384
Molecular FormulaC3H5BrFNO
Molecular Weight169.98 g/mol
Exact Mass168.95
IUPAC Name2-bromo-2-fluoro-N-methylacetamide
SMILESCNC(=O)C(F)Br
InChIInChI=1S/C3H5BrFNO/c1-6-3(7)2(4)5/h2H,1H3,(H,6,7)
InChIKeyMINFGRMBJUDPPR-UHFFFAOYSA-N
XLogP0.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.98
LogP ≤ 50.42
H-Bond Donors ≤ 51
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-bromo-2-fluoro-N-methylacetamide?
The IUPAC name of 2-bromo-2-fluoro-N-methylacetamide (CID 2782384) is 2-bromo-2-fluoro-N-methylacetamide.
What is the SMILES notation for 2-bromo-2-fluoro-N-methylacetamide?
The canonical SMILES for 2-bromo-2-fluoro-N-methylacetamide is CNC(=O)C(F)Br.
What is the InChIKey of 2-bromo-2-fluoro-N-methylacetamide?
The InChIKey is MINFGRMBJUDPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrFNO/c1-6-3(7)2(4)5/h2H,1H3,(H,6,7).
What are the key properties of 2-bromo-2-fluoro-N-methylacetamide?
2-bromo-2-fluoro-N-methylacetamide has a molecular weight of 169.98 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-fluoro-N-methylacetamide is sourced from PubChem (CID 2782384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).