4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid

C8H10F3NO4 — CID 66238168

IUPAC4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)C(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C8H10F3NO4/c1-12(7(15)8(9,10)11)5-3-16-2-4(5)6(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyAUXQGJXQBLUXCK-UHFFFAOYSA-N
MW241.16 g/mol
LogP0.11
Rot. Bonds2

About 4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid

4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid (PubChem CID 66238168) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid
PubChem CID66238168
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)C(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C8H10F3NO4/c1-12(7(15)8(9,10)11)5-3-16-2-4(5)6(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyAUXQGJXQBLUXCK-UHFFFAOYSA-N
XLogP0.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid (CID 66238168) is 4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid is CN(C(=O)C(F)(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid?
The InChIKey is AUXQGJXQBLUXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c1-12(7(15)8(9,10)11)5-3-16-2-4(5)6(13)14/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid?
4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid has a molecular weight of 241.16 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).