2-bromo-2,2-difluoroethanamine

C2H4BrF2N — CID 2782242

IUPAC2-bromo-2,2-difluoroethanamine
SMILESNCC(F)(F)Br
InChIInChI=1S/C2H4BrF2N/c3-2(4,5)1-6/h1,6H2
InChIKeyINKAHVFOZPBNHQ-UHFFFAOYSA-N
MW159.96 g/mol
LogP0.93
Rot. Bonds1

About 2-bromo-2,2-difluoroethanamine

2-bromo-2,2-difluoroethanamine (PubChem CID 2782242) has the molecular formula C2H4BrF2N and a molecular weight of 159.96 g/mol. Its IUPAC name is 2-bromo-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-bromo-2,2-difluoroethanamine
PubChem CID2782242
Molecular FormulaC2H4BrF2N
Molecular Weight159.96 g/mol
Exact Mass158.95
IUPAC Name2-bromo-2,2-difluoroethanamine
SMILESNCC(F)(F)Br
InChIInChI=1S/C2H4BrF2N/c3-2(4,5)1-6/h1,6H2
InChIKeyINKAHVFOZPBNHQ-UHFFFAOYSA-N
XLogP0.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.96
LogP ≤ 50.93
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-2,2-difluoroethanamine?
The IUPAC name of 2-bromo-2,2-difluoroethanamine (CID 2782242) is 2-bromo-2,2-difluoroethanamine.
What is the SMILES notation for 2-bromo-2,2-difluoroethanamine?
The canonical SMILES for 2-bromo-2,2-difluoroethanamine is NCC(F)(F)Br.
What is the InChIKey of 2-bromo-2,2-difluoroethanamine?
The InChIKey is INKAHVFOZPBNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4BrF2N/c3-2(4,5)1-6/h1,6H2.
What are the key properties of 2-bromo-2,2-difluoroethanamine?
2-bromo-2,2-difluoroethanamine has a molecular weight of 159.96 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoroethanamine is sourced from PubChem (CID 2782242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).