2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine

C9H11ClF3NOS — CID 106046662

IUPAC2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
SMILESFC(F)(F)OCCNCCc1ccc(Cl)s1
InChIInChI=1S/C9H11ClF3NOS/c10-8-2-1-7(16-8)3-4-14-5-6-15-9(11,12)13/h1-2,14H,3-6H2
InChIKeyVTUDXCYHEAZVRJ-UHFFFAOYSA-N
MW273.71 g/mol
LogP3.07
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine

2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine (PubChem CID 106046662) has the molecular formula C9H11ClF3NOS and a molecular weight of 273.71 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
PubChem CID106046662
Molecular FormulaC9H11ClF3NOS
Molecular Weight273.71 g/mol
Exact Mass273.02
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
SMILESFC(F)(F)OCCNCCc1ccc(Cl)s1
InChIInChI=1S/C9H11ClF3NOS/c10-8-2-1-7(16-8)3-4-14-5-6-15-9(11,12)13/h1-2,14H,3-6H2
InChIKeyVTUDXCYHEAZVRJ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine (CID 106046662) is 2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine is FC(F)(F)OCCNCCc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The InChIKey is VTUDXCYHEAZVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NOS/c10-8-2-1-7(16-8)3-4-14-5-6-15-9(11,12)13/h1-2,14H,3-6H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine has a molecular weight of 273.71 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine is sourced from PubChem (CID 106046662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).