N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine

C10H10Br2F3NO — CID 62597022

IUPACN-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCOc1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2F3NO/c11-7-1-2-9(8(12)5-7)17-4-3-16-6-10(13,14)15/h1-2,5,16H,3-4,6H2
InChIKeyXJJZILKPJKHYBA-UHFFFAOYSA-N
MW377.00 g/mol
LogP3.74
Rot. Bonds5

About N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine

N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 62597022) has the molecular formula C10H10Br2F3NO and a molecular weight of 377.00 g/mol. Its IUPAC name is N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine
PubChem CID62597022
Molecular FormulaC10H10Br2F3NO
Molecular Weight377.00 g/mol
Exact Mass374.91
IUPAC NameN-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCOc1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2F3NO/c11-7-1-2-9(8(12)5-7)17-4-3-16-6-10(13,14)15/h1-2,5,16H,3-4,6H2
InChIKeyXJJZILKPJKHYBA-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.00
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dibromophenoxy)ethyl]prop-2-yn-1-amine
CID 62597194
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 55093296
N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine
CID 62597711
N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62599216
1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
CID 59907339
2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine
CID 6459407
N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 55093203
2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene
CID 59330867
2,4-dibromo-1-(5-chloropentoxy)benzene
CID 64718438
N-[2-(2,6-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 60690736
N-[2-(4-bromo-2-fluorophenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62599789
2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine
CID 115512098

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine (CID 62597022) is N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCCOc1ccc(Br)cc1Br.
What is the InChIKey of N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is XJJZILKPJKHYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2F3NO/c11-7-1-2-9(8(12)5-7)17-4-3-16-6-10(13,14)15/h1-2,5,16H,3-4,6H2.
What are the key properties of N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 377.00 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62597022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).