N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine

C8H9BrF3NS — CID 61000901

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCC(NCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C8H9BrF3NS/c1-5(13-4-8(10,11)12)6-2-3-7(9)14-6/h2-3,5,13H,4H2,1H3
InChIKeyZWIVMWNERQAZOS-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.72
Rot. Bonds3

About N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine

N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 61000901) has the molecular formula C8H9BrF3NS and a molecular weight of 288.13 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID61000901
Molecular FormulaC8H9BrF3NS
Molecular Weight288.13 g/mol
Exact Mass286.96
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCC(NCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C8H9BrF3NS/c1-5(13-4-8(10,11)12)6-2-3-7(9)14-6/h2-3,5,13H,4H2,1H3
InChIKeyZWIVMWNERQAZOS-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine (CID 61000901) is N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine is CC(NCC(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is ZWIVMWNERQAZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3NS/c1-5(13-4-8(10,11)12)6-2-3-7(9)14-6/h2-3,5,13H,4H2,1H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 288.13 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 61000901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).