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

C7H8F3NO4 — CID 66222909

IUPAC4-[(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO4/c8-7(9,10)6(14)11-4-2-15-1-3(4)5(12)13/h3-4H,1-2H2,(H,11,14)(H,12,13)
InChIKeyGBCFWVHRURMAOO-UHFFFAOYSA-N
MW227.14 g/mol
LogP-0.24
Rot. Bonds2

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

4-[(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid (PubChem CID 66222909) has the molecular formula C7H8F3NO4 and a molecular weight of 227.14 g/mol. Its IUPAC name is 4-[(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid
PubChem CID66222909
Molecular FormulaC7H8F3NO4
Molecular Weight227.14 g/mol
Exact Mass227.04
IUPAC Name4-[(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO4/c8-7(9,10)6(14)11-4-2-15-1-3(4)5(12)13/h3-4H,1-2H2,(H,11,14)(H,12,13)
InChIKeyGBCFWVHRURMAOO-UHFFFAOYSA-N
XLogP-0.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid (CID 66222909) is 4-[(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid is O=C(O)C1COCC1NC(=O)C(F)(F)F.
What is the InChIKey of 4-[(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid?
The InChIKey is GBCFWVHRURMAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO4/c8-7(9,10)6(14)11-4-2-15-1-3(4)5(12)13/h3-4H,1-2H2,(H,11,14)(H,12,13).
What are the key properties of 4-[(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid?
4-[(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid has a molecular weight of 227.14 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66222909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).