3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole

C7H8F3NO — CID 157030835

IUPAC3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole
SMILESCCc1nocc1CC(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-2-6-5(4-12-11-6)3-7(8,9)10/h4H,2-3H2,1H3
InChIKeyLEQLDUFSFWZIKQ-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.34
Rot. Bonds2

About 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole

3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole (PubChem CID 157030835) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole
PubChem CID157030835
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole
SMILESCCc1nocc1CC(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-2-6-5(4-12-11-6)3-7(8,9)10/h4H,2-3H2,1H3
InChIKeyLEQLDUFSFWZIKQ-UHFFFAOYSA-N
XLogP2.34
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole?
The IUPAC name of 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole (CID 157030835) is 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole.
What is the SMILES notation for 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole?
The canonical SMILES for 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole is CCc1nocc1CC(F)(F)F.
What is the InChIKey of 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole?
The InChIKey is LEQLDUFSFWZIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-2-6-5(4-12-11-6)3-7(8,9)10/h4H,2-3H2,1H3.
What are the key properties of 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole?
3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole has a molecular weight of 179.14 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole is sourced from PubChem (CID 157030835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).