N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine

C11H13Br2F2N — CID 107487664

IUPACN-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CN(CCBr)Cc1ccccc1Br
InChIInChI=1S/C11H13Br2F2N/c12-5-6-16(8-11(14)15)7-9-3-1-2-4-10(9)13/h1-4,11H,5-8H2
InChIKeyFPDGTCCHMTYGMP-UHFFFAOYSA-N
MW357.04 g/mol
LogP3.91
Rot. Bonds6

About N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine

N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine (PubChem CID 107487664) has the molecular formula C11H13Br2F2N and a molecular weight of 357.04 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine
PubChem CID107487664
Molecular FormulaC11H13Br2F2N
Molecular Weight357.04 g/mol
Exact Mass354.94
IUPAC NameN-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CN(CCBr)Cc1ccccc1Br
InChIInChI=1S/C11H13Br2F2N/c12-5-6-16(8-11(14)15)7-9-3-1-2-4-10(9)13/h1-4,11H,5-8H2
InChIKeyFPDGTCCHMTYGMP-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.04
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]butan-1-amine
CID 80672295
N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 107485107
N-(2-bromoethyl)-2,2-difluoro-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107487525
N-(2-bromoethyl)-2,2-difluoro-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 107487560
N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine
CID 107487738
N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine
CID 107488082
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-phenylpropan-1-amine
CID 107487681
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzoic acid
CID 107480825
N-(2-bromoethyl)-2,2-difluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 107487591
3-[[(2-bromophenyl)methyl-(2-methylpropyl)amino]methyl]-2-fluorophenol
CID 167923785
N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82959881
2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107478617

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine (CID 107487664) is N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine is FC(F)CN(CCBr)Cc1ccccc1Br.
What is the InChIKey of N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine?
The InChIKey is FPDGTCCHMTYGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2F2N/c12-5-6-16(8-11(14)15)7-9-3-1-2-4-10(9)13/h1-4,11H,5-8H2.
What are the key properties of N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine?
N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine has a molecular weight of 357.04 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 107487664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).