2-bromo-2-fluoroethanamine;hydrobromide

C2H6Br2FN — CID 167716014

IUPAC2-bromo-2-fluoroethanamine;hydrobromide
SMILESBr.NCC(F)Br
InChIInChI=1S/C2H5BrFN.BrH/c3-2(4)1-5;/h2H,1,5H2;1H
InChIKeyDPCKUDCYQAKXKH-UHFFFAOYSA-N
MW222.88 g/mol
LogP1.21
Rot. Bonds1

About 2-bromo-2-fluoroethanamine;hydrobromide

2-bromo-2-fluoroethanamine;hydrobromide (PubChem CID 167716014) has the molecular formula C2H6Br2FN and a molecular weight of 222.88 g/mol. Its IUPAC name is 2-bromo-2-fluoroethanamine;hydrobromide.

Molecular Properties

Compound Name2-bromo-2-fluoroethanamine;hydrobromide
PubChem CID167716014
Molecular FormulaC2H6Br2FN
Molecular Weight222.88 g/mol
Exact Mass220.89
IUPAC Name2-bromo-2-fluoroethanamine;hydrobromide
SMILESBr.NCC(F)Br
InChIInChI=1S/C2H5BrFN.BrH/c3-2(4)1-5;/h2H,1,5H2;1H
InChIKeyDPCKUDCYQAKXKH-UHFFFAOYSA-N
XLogP1.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.88
LogP ≤ 51.21
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-fluoroethanamine;hydrobromide?
The IUPAC name of 2-bromo-2-fluoroethanamine;hydrobromide (CID 167716014) is 2-bromo-2-fluoroethanamine;hydrobromide.
What is the SMILES notation for 2-bromo-2-fluoroethanamine;hydrobromide?
The canonical SMILES for 2-bromo-2-fluoroethanamine;hydrobromide is Br.NCC(F)Br.
What is the InChIKey of 2-bromo-2-fluoroethanamine;hydrobromide?
The InChIKey is DPCKUDCYQAKXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BrFN.BrH/c3-2(4)1-5;/h2H,1,5H2;1H.
What are the key properties of 2-bromo-2-fluoroethanamine;hydrobromide?
2-bromo-2-fluoroethanamine;hydrobromide has a molecular weight of 222.88 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-fluoroethanamine;hydrobromide is sourced from PubChem (CID 167716014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).