N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine

C10H12Br2F2N2 — CID 107487738

IUPACN-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CN(CCBr)Cc1cncc(Br)c1
InChIInChI=1S/C10H12Br2F2N2/c11-1-2-16(7-10(13)14)6-8-3-9(12)5-15-4-8/h3-5,10H,1-2,6-7H2
InChIKeyWHBPZSNDQCOMBV-UHFFFAOYSA-N
MW358.02 g/mol
LogP3.31
Rot. Bonds6

About N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine

N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine (PubChem CID 107487738) has the molecular formula C10H12Br2F2N2 and a molecular weight of 358.02 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine
PubChem CID107487738
Molecular FormulaC10H12Br2F2N2
Molecular Weight358.02 g/mol
Exact Mass355.93
IUPAC NameN-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CN(CCBr)Cc1cncc(Br)c1
InChIInChI=1S/C10H12Br2F2N2/c11-1-2-16(7-10(13)14)6-8-3-9(12)5-15-4-8/h3-5,10H,1-2,6-7H2
InChIKeyWHBPZSNDQCOMBV-UHFFFAOYSA-N
XLogP3.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.02
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104811260
N'-[(5-bromo-3-pyridinyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 104798126
3-[(5-bromo-3-pyridinyl)methyl-(2-methylpropyl)amino]propanethioamide
CID 104797288
N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine
CID 107487664
N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine
CID 115596591
2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol
CID 115610793
3-[(5-bromo-3-pyridinyl)methyl-ethylamino]propanenitrile
CID 115673209
2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol
CID 115586341
3-bromo-5-(2,2-difluoroethoxymethyl)pyridine
CID 104809944
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484838
N-(2-bromoethyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2-difluoroethanamine
CID 107487595
3-[(5-bromo-3-pyridinyl)methyl-methylamino]-2-methylpropanoic acid
CID 104800316

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine (CID 107487738) is N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine is FC(F)CN(CCBr)Cc1cncc(Br)c1.
What is the InChIKey of N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine?
The InChIKey is WHBPZSNDQCOMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2F2N2/c11-1-2-16(7-10(13)14)6-8-3-9(12)5-15-4-8/h3-5,10H,1-2,6-7H2.
What are the key properties of N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine?
N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine has a molecular weight of 358.02 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 107487738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).