3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole

C6H8F3NO — CID 54161646

IUPAC3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole
SMILESCCN1C=COC1C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-10-3-4-11-5(10)6(7,8)9/h3-5H,2H2,1H3
InChIKeyOOVFJHCEDFFORV-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.70
Rot. Bonds1

About 3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole

3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole (PubChem CID 54161646) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole.

Molecular Properties

Compound Name3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole
PubChem CID54161646
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole
SMILESCCN1C=COC1C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-10-3-4-11-5(10)6(7,8)9/h3-5H,2H2,1H3
InChIKeyOOVFJHCEDFFORV-UHFFFAOYSA-N
XLogP1.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole?
The IUPAC name of 3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole (CID 54161646) is 3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole.
What is the SMILES notation for 3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole?
The canonical SMILES for 3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole is CCN1C=COC1C(F)(F)F.
What is the InChIKey of 3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole?
The InChIKey is OOVFJHCEDFFORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-2-10-3-4-11-5(10)6(7,8)9/h3-5H,2H2,1H3.
What are the key properties of 3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole?
3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole has a molecular weight of 167.13 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(trifluoromethyl)-2H-1,3-oxazole is sourced from PubChem (CID 54161646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).