1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C9H10Cl2F3NS2 — CID 106427045

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10Cl2F3NS2/c1-5(6-4-7(10)17-8(6)11)15-2-3-16-9(12,13)14/h4-5,15H,2-3H2,1H3
InChIKeyIGDZIMFQCJHANU-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.96
Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 106427045) has the molecular formula C9H10Cl2F3NS2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID106427045
Molecular FormulaC9H10Cl2F3NS2
Molecular Weight324.22 g/mol
Exact Mass322.96
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10Cl2F3NS2/c1-5(6-4-7(10)17-8(6)11)15-2-3-16-9(12,13)14/h4-5,15H,2-3H2,1H3
InChIKeyIGDZIMFQCJHANU-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.96
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 1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 106427045) is 1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is CC(NCCSC(F)(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is IGDZIMFQCJHANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2F3NS2/c1-5(6-4-7(10)17-8(6)11)15-2-3-16-9(12,13)14/h4-5,15H,2-3H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 324.22 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 106427045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).