5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid

C8H5F6NO4 — CID 102721456

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COC(C(F)(F)F)C(F)(F)F)on1
InChIInChI=1S/C8H5F6NO4/c9-7(10,11)6(8(12,13)14)18-2-3-1-4(5(16)17)15-19-3/h1,6H,2H2,(H,16,17)
InChIKeyIHGGOAIVKQFFRT-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.38
Rot. Bonds4

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid

5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 102721456) has the molecular formula C8H5F6NO4 and a molecular weight of 293.12 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID102721456
Molecular FormulaC8H5F6NO4
Molecular Weight293.12 g/mol
Exact Mass293.01
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COC(C(F)(F)F)C(F)(F)F)on1
InChIInChI=1S/C8H5F6NO4/c9-7(10,11)6(8(12,13)14)18-2-3-1-4(5(16)17)15-19-3/h1,6H,2H2,(H,16,17)
InChIKeyIHGGOAIVKQFFRT-UHFFFAOYSA-N
XLogP2.38
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid (CID 102721456) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COC(C(F)(F)F)C(F)(F)F)on1.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is IHGGOAIVKQFFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO4/c9-7(10,11)6(8(12,13)14)18-2-3-1-4(5(16)17)15-19-3/h1,6H,2H2,(H,16,17).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid?
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 293.12 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 102721456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).