3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole

C8H4F6N2O2 — CID 87635188

IUPAC3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1ccon1.FC(F)(F)c1cnoc1
InChIInChI=1S/2C4H2F3NO/c5-4(6,7)3-1-8-9-2-3;5-4(6,7)3-1-2-9-8-3/h2*1-2H
InChIKeyUHLOUFNAVDDEPO-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.39
Rot. Bonds

About 3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole

3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole (PubChem CID 87635188) has the molecular formula C8H4F6N2O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole
PubChem CID87635188
Molecular FormulaC8H4F6N2O2
Molecular Weight274.12 g/mol
Exact Mass274.02
IUPAC Name3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1ccon1.FC(F)(F)c1cnoc1
InChIInChI=1S/2C4H2F3NO/c5-4(6,7)3-1-8-9-2-3;5-4(6,7)3-1-2-9-8-3/h2*1-2H
InChIKeyUHLOUFNAVDDEPO-UHFFFAOYSA-N
XLogP3.39
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole (CID 87635188) is 3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1ccon1.FC(F)(F)c1cnoc1.
What is the InChIKey of 3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole?
The InChIKey is UHLOUFNAVDDEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H2F3NO/c5-4(6,7)3-1-8-9-2-3;5-4(6,7)3-1-2-9-8-3/h2*1-2H.
What are the key properties of 3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole?
3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole has a molecular weight of 274.12 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 87635188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).