2-bromo-2-fluoroethanamine;hydrochloride

C2H6BrClFN — CID 167740983

IUPAC2-bromo-2-fluoroethanamine;hydrochloride
SMILESCl.NCC(F)Br
InChIInChI=1S/C2H5BrFN.ClH/c3-2(4)1-5;/h2H,1,5H2;1H
InChIKeyUSZPJQBKERIWQJ-UHFFFAOYSA-N
MW178.43 g/mol
LogP1.06
Rot. Bonds1

About 2-bromo-2-fluoroethanamine;hydrochloride

2-bromo-2-fluoroethanamine;hydrochloride (PubChem CID 167740983) has the molecular formula C2H6BrClFN and a molecular weight of 178.43 g/mol. Its IUPAC name is 2-bromo-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name2-bromo-2-fluoroethanamine;hydrochloride
PubChem CID167740983
Molecular FormulaC2H6BrClFN
Molecular Weight178.43 g/mol
Exact Mass176.94
IUPAC Name2-bromo-2-fluoroethanamine;hydrochloride
SMILESCl.NCC(F)Br
InChIInChI=1S/C2H5BrFN.ClH/c3-2(4)1-5;/h2H,1,5H2;1H
InChIKeyUSZPJQBKERIWQJ-UHFFFAOYSA-N
XLogP1.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.43
LogP ≤ 51.06
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;hydrochloride?
The IUPAC name of 2-bromo-2-fluoroethanamine;hydrochloride (CID 167740983) is 2-bromo-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for 2-bromo-2-fluoroethanamine;hydrochloride?
The canonical SMILES for 2-bromo-2-fluoroethanamine;hydrochloride is Cl.NCC(F)Br.
What is the InChIKey of 2-bromo-2-fluoroethanamine;hydrochloride?
The InChIKey is USZPJQBKERIWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BrFN.ClH/c3-2(4)1-5;/h2H,1,5H2;1H.
What are the key properties of 2-bromo-2-fluoroethanamine;hydrochloride?
2-bromo-2-fluoroethanamine;hydrochloride has a molecular weight of 178.43 g/mol, XLogP of 1.06, 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;hydrochloride is sourced from PubChem (CID 167740983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).