5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole

C7H8F3NO — CID 142314520

IUPAC5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole
SMILESCC(C)(c1ccno1)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-6(2,7(8,9)10)5-3-4-11-12-5/h3-4H,1-2H3
InChIKeyYTKJMUJLDMSCLE-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.51
Rot. Bonds1

About 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole

5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole (PubChem CID 142314520) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole
PubChem CID142314520
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole
SMILESCC(C)(c1ccno1)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-6(2,7(8,9)10)5-3-4-11-12-5/h3-4H,1-2H3
InChIKeyYTKJMUJLDMSCLE-UHFFFAOYSA-N
XLogP2.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole?
The IUPAC name of 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole (CID 142314520) is 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole?
The canonical SMILES for 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole is CC(C)(c1ccno1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole?
The InChIKey is YTKJMUJLDMSCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-6(2,7(8,9)10)5-3-4-11-12-5/h3-4H,1-2H3.
What are the key properties of 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole?
5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole has a molecular weight of 179.14 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazole is sourced from PubChem (CID 142314520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).