2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine

C4H6BrF4N — CID 126981031

IUPAC2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCC(F)(F)Br
InChIInChI=1S/C4H6BrF4N/c5-4(8,9)2-10-1-3(6)7/h3,10H,1-2H2
InChIKeyAUOUBTQFRPXWJB-UHFFFAOYSA-N
MW223.99 g/mol
LogP1.83
Rot. Bonds4

About 2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine

2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine (PubChem CID 126981031) has the molecular formula C4H6BrF4N and a molecular weight of 223.99 g/mol. Its IUPAC name is 2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine
PubChem CID126981031
Molecular FormulaC4H6BrF4N
Molecular Weight223.99 g/mol
Exact Mass222.96
IUPAC Name2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCC(F)(F)Br
InChIInChI=1S/C4H6BrF4N/c5-4(8,9)2-10-1-3(6)7/h3,10H,1-2H2
InChIKeyAUOUBTQFRPXWJB-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.99
LogP ≤ 51.83
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

3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol
CID 106176446
N-(2,2-difluoroethyl)-2,2-difluoroethanamine
CID 23323251
N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine
CID 88936095
N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858455
N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2-difluoroethanamine
CID 115407132
2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 115405900
2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine
CID 115405634
N-[(4-tert-butylphenyl)methyl]-2,2-difluoroethanamine
CID 115405867
1,3-dibromo-1,1,3-trifluoropropane
CID 45075709
2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
CID 103529398
2-bromo-N-(2,2-difluoroethyl)-2-methylpropanamide
CID 114328988
N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine
CID 115406141

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine?
The IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine (CID 126981031) is 2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine.
What is the SMILES notation for 2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine?
The canonical SMILES for 2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine is FC(F)CNCC(F)(F)Br.
What is the InChIKey of 2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine?
The InChIKey is AUOUBTQFRPXWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrF4N/c5-4(8,9)2-10-1-3(6)7/h3,10H,1-2H2.
What are the key properties of 2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine?
2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine has a molecular weight of 223.99 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine is sourced from PubChem (CID 126981031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).