2,2-dibromo-2-fluoroethanamine;hydrochloride

C2H5Br2ClFN — CID 167727505

IUPAC2,2-dibromo-2-fluoroethanamine;hydrochloride
SMILESCl.NCC(F)(Br)Br
InChIInChI=1S/C2H4Br2FN.ClH/c3-2(4,5)1-6;/h1,6H2;1H
InChIKeyIIOKUHNAVXBEOQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.78
Rot. Bonds1

About 2,2-dibromo-2-fluoroethanamine;hydrochloride

2,2-dibromo-2-fluoroethanamine;hydrochloride (PubChem CID 167727505) has the molecular formula C2H5Br2ClFN and a molecular weight of 257.33 g/mol. Its IUPAC name is 2,2-dibromo-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name2,2-dibromo-2-fluoroethanamine;hydrochloride
PubChem CID167727505
Molecular FormulaC2H5Br2ClFN
Molecular Weight257.33 g/mol
Exact Mass254.85
IUPAC Name2,2-dibromo-2-fluoroethanamine;hydrochloride
SMILESCl.NCC(F)(Br)Br
InChIInChI=1S/C2H4Br2FN.ClH/c3-2(4,5)1-6;/h1,6H2;1H
InChIKeyIIOKUHNAVXBEOQ-UHFFFAOYSA-N
XLogP1.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-2,2-difluoroethan-1-amine hydrochloride
CID 44717170
2-Bromo-2-fluoroethan-1-amine hydrochloride
CID 167740983
2,2-Dibromo-2-fluoroethan-1-amine
CID 167727506
2,2,2-Tribromoethanamine
CID 21923788
2-Bromo-2-fluoroethan-1-amine hydrobromide
CID 167716014

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-2-fluoroethanamine;hydrochloride?
The IUPAC name of 2,2-dibromo-2-fluoroethanamine;hydrochloride (CID 167727505) is 2,2-dibromo-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for 2,2-dibromo-2-fluoroethanamine;hydrochloride?
The canonical SMILES for 2,2-dibromo-2-fluoroethanamine;hydrochloride is Cl.NCC(F)(Br)Br.
What is the InChIKey of 2,2-dibromo-2-fluoroethanamine;hydrochloride?
The InChIKey is IIOKUHNAVXBEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2FN.ClH/c3-2(4,5)1-6;/h1,6H2;1H.
What are the key properties of 2,2-dibromo-2-fluoroethanamine;hydrochloride?
2,2-dibromo-2-fluoroethanamine;hydrochloride has a molecular weight of 257.33 g/mol, XLogP of 1.78, 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;hydrochloride is sourced from PubChem (CID 167727505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).