2-bromo-2,2-difluoroethanamine;hydrochloride

C2H5BrClF2N — CID 44717170

IUPAC2-bromo-2,2-difluoroethanamine;hydrochloride
SMILESCl.NCC(F)(F)Br
InChIInChI=1S/C2H4BrF2N.ClH/c3-2(4,5)1-6;/h1,6H2;1H
InChIKeyMDGFTOPSRLCRNK-UHFFFAOYSA-N
MW196.42 g/mol
LogP1.35
Rot. Bonds1

About 2-bromo-2,2-difluoroethanamine;hydrochloride

2-bromo-2,2-difluoroethanamine;hydrochloride (PubChem CID 44717170) has the molecular formula C2H5BrClF2N and a molecular weight of 196.42 g/mol. Its IUPAC name is 2-bromo-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name2-bromo-2,2-difluoroethanamine;hydrochloride
PubChem CID44717170
Molecular FormulaC2H5BrClF2N
Molecular Weight196.42 g/mol
Exact Mass194.93
IUPAC Name2-bromo-2,2-difluoroethanamine;hydrochloride
SMILESCl.NCC(F)(F)Br
InChIInChI=1S/C2H4BrF2N.ClH/c3-2(4,5)1-6;/h1,6H2;1H
InChIKeyMDGFTOPSRLCRNK-UHFFFAOYSA-N
XLogP1.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.42
LogP ≤ 51.35
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

2,2,2-Trifluoroethylamine hydrochloride
CID 9772
2,2,2-Trifluoroethylazanium;chloride
CID 10931477
Hydron;2,2,2-trifluoroethanamine;chloride
CID 74764779
2,2-Dibromo-2-fluoroethan-1-amine hydrochloride
CID 167727505
2-Bromo-2,2-difluoroethylamine
CID 2782242
2,2-Difluoro-2-(methylidene-lambda3-bromanyl)ethanamine
CID 163946939
2,2,2-Trifluoroethylammonium Bromide
CID 168444725
2,2,2-Trifluoroethanamine chloride
CID 43822561
3-Bromo-2,2,3,3-tetrafluoropropan-1-amine hydrochloride
CID 145915362
2,2,2-Trifluoroethylazanide;hydrochloride
CID 157843325
3-Bromo-3,3-Difluoro-1-Propanaminium Chloride
CID 2736295
3-Bromo-3,3-difluoropropylamine hydrochloride
CID 44717254

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of 2-bromo-2,2-difluoroethanamine;hydrochloride (CID 44717170) is 2-bromo-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for 2-bromo-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for 2-bromo-2,2-difluoroethanamine;hydrochloride is Cl.NCC(F)(F)Br.
What is the InChIKey of 2-bromo-2,2-difluoroethanamine;hydrochloride?
The InChIKey is MDGFTOPSRLCRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4BrF2N.ClH/c3-2(4,5)1-6;/h1,6H2;1H.
What are the key properties of 2-bromo-2,2-difluoroethanamine;hydrochloride?
2-bromo-2,2-difluoroethanamine;hydrochloride has a molecular weight of 196.42 g/mol, XLogP of 1.35, 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;hydrochloride is sourced from PubChem (CID 44717170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).