5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid

C7H3F6NO4 — CID 89194243

IUPAC5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(C(O)(C(F)(F)F)C(F)(F)F)on1
InChIInChI=1S/C7H3F6NO4/c8-6(9,10)5(17,7(11,12)13)3-1-2(4(15)16)14-18-3/h1,17H,(H,15,16)
InChIKeyQPEIFUWBRTZTOO-UHFFFAOYSA-N
MW279.09 g/mol
LogP1.68
Rot. Bonds2

About 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid

5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 89194243) has the molecular formula C7H3F6NO4 and a molecular weight of 279.09 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID89194243
Molecular FormulaC7H3F6NO4
Molecular Weight279.09 g/mol
Exact Mass279.00
IUPAC Name5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(C(O)(C(F)(F)F)C(F)(F)F)on1
InChIInChI=1S/C7H3F6NO4/c8-6(9,10)5(17,7(11,12)13)3-1-2(4(15)16)14-18-3/h1,17H,(H,15,16)
InChIKeyQPEIFUWBRTZTOO-UHFFFAOYSA-N
XLogP1.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid (CID 89194243) is 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(C(O)(C(F)(F)F)C(F)(F)F)on1.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is QPEIFUWBRTZTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NO4/c8-6(9,10)5(17,7(11,12)13)3-1-2(4(15)16)14-18-3/h1,17H,(H,15,16).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid?
5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 279.09 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 89194243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).