2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole

C9H12F3NO — CID 126550851

IUPAC2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole
SMILESCC(C)(C)c1nc(CC(F)(F)F)co1
InChIInChI=1S/C9H12F3NO/c1-8(2,3)7-13-6(5-14-7)4-9(10,11)12/h5H,4H2,1-3H3
InChIKeyGESLXNQEPRXWJT-UHFFFAOYSA-N
MW207.19 g/mol
LogP3.08
Rot. Bonds1

About 2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole

2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole (PubChem CID 126550851) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole
PubChem CID126550851
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole
SMILESCC(C)(C)c1nc(CC(F)(F)F)co1
InChIInChI=1S/C9H12F3NO/c1-8(2,3)7-13-6(5-14-7)4-9(10,11)12/h5H,4H2,1-3H3
InChIKeyGESLXNQEPRXWJT-UHFFFAOYSA-N
XLogP3.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole (CID 126550851) is 2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole is CC(C)(C)c1nc(CC(F)(F)F)co1.
What is the InChIKey of 2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole?
The InChIKey is GESLXNQEPRXWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-8(2,3)7-13-6(5-14-7)4-9(10,11)12/h5H,4H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole?
2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole has a molecular weight of 207.19 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole is sourced from PubChem (CID 126550851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).