1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C9H10Cl2F3NOS — CID 103207256

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10Cl2F3NOS/c1-15-6(3-16-4-9(12,13)14)5-2-7(10)17-8(5)11/h2,6,15H,3-4H2,1H3
InChIKeyATVLTYOSIOOIPH-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.89
Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207256) has the molecular formula C9H10Cl2F3NOS and a molecular weight of 308.15 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207256
Molecular FormulaC9H10Cl2F3NOS
Molecular Weight308.15 g/mol
Exact Mass306.98
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10Cl2F3NOS/c1-15-6(3-16-4-9(12,13)14)5-2-7(10)17-8(5)11/h2,6,15H,3-4H2,1H3
InChIKeyATVLTYOSIOOIPH-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207256) is 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ATVLTYOSIOOIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2F3NOS/c1-15-6(3-16-4-9(12,13)14)5-2-7(10)17-8(5)11/h2,6,15H,3-4H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 308.15 g/mol, XLogP of 3.89, 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-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).