4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid

C10H16F3NO3 — CID 65299851

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN(CC(F)(F)F)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C10H16F3NO3/c1-4-14(6-10(11,12)13)7(15)5-9(2,3)8(16)17/h4-6H2,1-3H3,(H,16,17)
InChIKeyXEUCHKJCWQDPAB-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.90
Rot. Bonds5

About 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65299851) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65299851
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN(CC(F)(F)F)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C10H16F3NO3/c1-4-14(6-10(11,12)13)7(15)5-9(2,3)8(16)17/h4-6H2,1-3H3,(H,16,17)
InChIKeyXEUCHKJCWQDPAB-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-4-[methyl(trifluoroacetyl)amino]butanoic acid
CID 91716739
1-(2-Methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
CID 118217440
4-Oxo-4-(3,6,6-trifluoro-3-methyl-1-azacyclooct-4-yn-1-yl)butanoic acid
CID 118886411
4-[Methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid
CID 43151856
4-Oxo-4-[pentan-3-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 54875334
4-[Butyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 54875519
4-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 54875573
4-[Propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid
CID 54926281
4-[Ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 55010974
2,2-Diethyl-4-[ethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 55010976
1-(3,3-Dimethylbutanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226696
1-Acetyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55228425

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65299851) is 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is CCN(CC(F)(F)F)C(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is XEUCHKJCWQDPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-4-14(6-10(11,12)13)7(15)5-9(2,3)8(16)17/h4-6H2,1-3H3,(H,16,17).
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65299851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).