2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid

C11H18F3NO3 — CID 60891932

IUPAC2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N(C)CC(F)(F)F)C(=O)O
InChIInChI=1S/C11H18F3NO3/c1-4-10(5-2,9(17)18)6-8(16)15(3)7-11(12,13)14/h4-7H2,1-3H3,(H,17,18)
InChIKeyORLZEWHGETZNQE-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.29
Rot. Bonds6

About 2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid

2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid (PubChem CID 60891932) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
PubChem CID60891932
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N(C)CC(F)(F)F)C(=O)O
InChIInChI=1S/C11H18F3NO3/c1-4-10(5-2,9(17)18)6-8(16)15(3)7-11(12,13)14/h4-7H2,1-3H3,(H,17,18)
InChIKeyORLZEWHGETZNQE-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid (CID 60891932) is 2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid is CCC(CC)(CC(=O)N(C)CC(F)(F)F)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
The InChIKey is ORLZEWHGETZNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-4-10(5-2,9(17)18)6-8(16)15(3)7-11(12,13)14/h4-7H2,1-3H3,(H,17,18).
What are the key properties of 2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid has a molecular weight of 269.26 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 60891932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).