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

C10H13ClF3NOS — CID 114140396

IUPAC2-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCc1ccc(Cl)s1
InChIInChI=1S/C10H13ClF3NOS/c11-9-2-1-8(17-9)3-4-15-5-6-16-7-10(12,13)14/h1-2,15H,3-7H2
InChIKeyQTFKFKVVFCGWRE-UHFFFAOYSA-N
MW287.73 g/mol
LogP3.11
Rot. Bonds7

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

2-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 114140396) has the molecular formula C10H13ClF3NOS and a molecular weight of 287.73 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID114140396
Molecular FormulaC10H13ClF3NOS
Molecular Weight287.73 g/mol
Exact Mass287.04
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCc1ccc(Cl)s1
InChIInChI=1S/C10H13ClF3NOS/c11-9-2-1-8(17-9)3-4-15-5-6-16-7-10(12,13)14/h1-2,15H,3-7H2
InChIKeyQTFKFKVVFCGWRE-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 53.11
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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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide
CID 51082907
N-(5-chloro-2-thienylmethyl)-N-(2-vinyloxyethyl)amine
CID 3865559
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 45893374
1-[2-(5-Chlorothiophen-2-yl)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 78889622
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962389
1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 55170213
N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55260047
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733755
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733758
1-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 61490570
2-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 61492325
3-[(5-Chlorothiophen-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 61530260

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 114140396) is 2-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is FC(F)(F)COCCNCCc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is QTFKFKVVFCGWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NOS/c11-9-2-1-8(17-9)3-4-15-5-6-16-7-10(12,13)14/h1-2,15H,3-7H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
2-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 287.73 g/mol, XLogP of 3.11, 7 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-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 114140396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).