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

C10H11BrF3N — CID 60997763

IUPACN-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCc1ccc(Br)cc1
InChIInChI=1S/C10H11BrF3N/c11-9-3-1-8(2-4-9)5-6-15-7-10(12,13)14/h1-4,15H,5-7H2
InChIKeyPMUCDZLOOWBPQJ-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.14
Rot. Bonds4

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

N-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 60997763) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID60997763
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC NameN-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCc1ccc(Br)cc1
InChIInChI=1S/C10H11BrF3N/c11-9-3-1-8(2-4-9)5-6-15-7-10(12,13)14/h1-4,15H,5-7H2
InChIKeyPMUCDZLOOWBPQJ-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine (CID 60997763) is N-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCCc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is PMUCDZLOOWBPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c11-9-3-1-8(2-4-9)5-6-15-7-10(12,13)14/h1-4,15H,5-7H2.
What are the key properties of N-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 282.10 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 60997763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).