2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide

C8H13F3N2O2 — CID 62728422

IUPAC2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)NC)C(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-3-4-13(5-6(14)12-2)7(15)8(9,10)11/h3-5H2,1-2H3,(H,12,14)
InChIKeyJQWRDYWSKPXGCZ-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.53
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide

2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide (PubChem CID 62728422) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
PubChem CID62728422
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)NC)C(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-3-4-13(5-6(14)12-2)7(15)8(9,10)11/h3-5H2,1-2H3,(H,12,14)
InChIKeyJQWRDYWSKPXGCZ-UHFFFAOYSA-N
XLogP0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide (CID 62728422) is 2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide is CCCN(CC(=O)NC)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide?
The InChIKey is JQWRDYWSKPXGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-3-4-13(5-6(14)12-2)7(15)8(9,10)11/h3-5H2,1-2H3,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide?
2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide has a molecular weight of 226.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide is sourced from PubChem (CID 62728422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).