4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one

C12H16F3NOS — CID 55010403

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one
SMILESCCN(CCCC(=O)c1cccs1)CC(F)(F)F
InChIInChI=1S/C12H16F3NOS/c1-2-16(9-12(13,14)15)7-3-5-10(17)11-6-4-8-18-11/h4,6,8H,2-3,5,7,9H2,1H3
InChIKeyUREYVSPFQHLFFJ-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.60
Rot. Bonds7

About 4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one

4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one (PubChem CID 55010403) has the molecular formula C12H16F3NOS and a molecular weight of 279.33 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one
PubChem CID55010403
Molecular FormulaC12H16F3NOS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one
SMILESCCN(CCCC(=O)c1cccs1)CC(F)(F)F
InChIInChI=1S/C12H16F3NOS/c1-2-16(9-12(13,14)15)7-3-5-10(17)11-6-4-8-18-11/h4,6,8H,2-3,5,7,9H2,1H3
InChIKeyUREYVSPFQHLFFJ-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one (CID 55010403) is 4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one is CCN(CCCC(=O)c1cccs1)CC(F)(F)F.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one?
The InChIKey is UREYVSPFQHLFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NOS/c1-2-16(9-12(13,14)15)7-3-5-10(17)11-6-4-8-18-11/h4,6,8H,2-3,5,7,9H2,1H3.
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one?
4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one has a molecular weight of 279.33 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 55010403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).