2,2-dibromo-2-fluoroethanamine

C2H4Br2FN — CID 167727506

IUPAC2,2-dibromo-2-fluoroethanamine
SMILESNCC(F)(Br)Br
InChIInChI=1S/C2H4Br2FN/c3-2(4,5)1-6/h1,6H2
InChIKeyBBHLBBNBVJLOJO-UHFFFAOYSA-N
MW220.87 g/mol
LogP1.36
Rot. Bonds1

About 2,2-dibromo-2-fluoroethanamine

2,2-dibromo-2-fluoroethanamine (PubChem CID 167727506) has the molecular formula C2H4Br2FN and a molecular weight of 220.87 g/mol. Its IUPAC name is 2,2-dibromo-2-fluoroethanamine.

Molecular Properties

Compound Name2,2-dibromo-2-fluoroethanamine
PubChem CID167727506
Molecular FormulaC2H4Br2FN
Molecular Weight220.87 g/mol
Exact Mass218.87
IUPAC Name2,2-dibromo-2-fluoroethanamine
SMILESNCC(F)(Br)Br
InChIInChI=1S/C2H4Br2FN/c3-2(4,5)1-6/h1,6H2
InChIKeyBBHLBBNBVJLOJO-UHFFFAOYSA-N
XLogP1.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.87
LogP ≤ 51.36
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 2,2-dibromo-2-fluoroethanamine?
The IUPAC name of 2,2-dibromo-2-fluoroethanamine (CID 167727506) is 2,2-dibromo-2-fluoroethanamine.
What is the SMILES notation for 2,2-dibromo-2-fluoroethanamine?
The canonical SMILES for 2,2-dibromo-2-fluoroethanamine is NCC(F)(Br)Br.
What is the InChIKey of 2,2-dibromo-2-fluoroethanamine?
The InChIKey is BBHLBBNBVJLOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2FN/c3-2(4,5)1-6/h1,6H2.
What are the key properties of 2,2-dibromo-2-fluoroethanamine?
2,2-dibromo-2-fluoroethanamine has a molecular weight of 220.87 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-2-fluoroethanamine is sourced from PubChem (CID 167727506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).