1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

C10H13BrF3NOS — CID 103215809

IUPAC1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1cscc1Br
InChIInChI=1S/C10H13BrF3NOS/c1-2-15-9(3-16-6-10(12,13)14)7-4-17-5-8(7)11/h4-5,9,15H,2-3,6H2,1H3
InChIKeyDULAXTUXPFECJQ-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.74
Rot. Bonds6

About 1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215809) has the molecular formula C10H13BrF3NOS and a molecular weight of 332.19 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215809
Molecular FormulaC10H13BrF3NOS
Molecular Weight332.19 g/mol
Exact Mass330.99
IUPAC Name1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1cscc1Br
InChIInChI=1S/C10H13BrF3NOS/c1-2-15-9(3-16-6-10(12,13)14)7-4-17-5-8(7)11/h4-5,9,15H,2-3,6H2,1H3
InChIKeyDULAXTUXPFECJQ-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215809) is 1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is DULAXTUXPFECJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NOS/c1-2-15-9(3-16-6-10(12,13)14)7-4-17-5-8(7)11/h4-5,9,15H,2-3,6H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 332.19 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).