1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one

C11H13ClF3NOS — CID 55010358

IUPAC1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one
SMILESCCN(CC(F)(F)F)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClF3NOS/c1-3-16(6-11(13,14)15)7(2)10(17)8-4-5-9(12)18-8/h4-5,7H,3,6H2,1-2H3
InChIKeyKXISPTWEAUCFSI-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.86
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one

1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one (PubChem CID 55010358) has the molecular formula C11H13ClF3NOS and a molecular weight of 299.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one
PubChem CID55010358
Molecular FormulaC11H13ClF3NOS
Molecular Weight299.75 g/mol
Exact Mass299.04
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one
SMILESCCN(CC(F)(F)F)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClF3NOS/c1-3-16(6-11(13,14)15)7(2)10(17)8-4-5-9(12)18-8/h4-5,7H,3,6H2,1-2H3
InChIKeyKXISPTWEAUCFSI-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one (CID 55010358) is 1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one is CCN(CC(F)(F)F)C(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one?
The InChIKey is KXISPTWEAUCFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NOS/c1-3-16(6-11(13,14)15)7(2)10(17)8-4-5-9(12)18-8/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one?
1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one has a molecular weight of 299.75 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-one is sourced from PubChem (CID 55010358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).