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

C10H16F3NO4 — CID 65302183

IUPAC4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)N(CCO)CC(F)(F)F)C(=O)O
InChIInChI=1S/C10H16F3NO4/c1-9(2,8(17)18)5-7(16)14(3-4-15)6-10(11,12)13/h15H,3-6H2,1-2H3,(H,17,18)
InChIKeyFYLGAOZPAWPNAZ-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.87
Rot. Bonds6

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

4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65302183) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65302183
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)N(CCO)CC(F)(F)F)C(=O)O
InChIInChI=1S/C10H16F3NO4/c1-9(2,8(17)18)5-7(16)14(3-4-15)6-10(11,12)13/h15H,3-6H2,1-2H3,(H,17,18)
InChIKeyFYLGAOZPAWPNAZ-UHFFFAOYSA-N
XLogP0.87
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65302183) is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)N(CCO)CC(F)(F)F)C(=O)O.
What is the InChIKey of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is FYLGAOZPAWPNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-9(2,8(17)18)5-7(16)14(3-4-15)6-10(11,12)13/h15H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 271.23 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65302183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).