3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole

C5H3F4NO — CID 14341551

IUPAC3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole
SMILESFC(c1ccon1)C(F)(F)F
InChIInChI=1S/C5H3F4NO/c6-4(5(7,8)9)3-1-2-11-10-3/h1-2,4H
InChIKeyVQDCWZIUOWJBIQ-UHFFFAOYSA-N
MW169.08 g/mol
LogP2.25
Rot. Bonds1

About 3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole

3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole (PubChem CID 14341551) has the molecular formula C5H3F4NO and a molecular weight of 169.08 g/mol. Its IUPAC name is 3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole
PubChem CID14341551
Molecular FormulaC5H3F4NO
Molecular Weight169.08 g/mol
Exact Mass169.02
IUPAC Name3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole
SMILESFC(c1ccon1)C(F)(F)F
InChIInChI=1S/C5H3F4NO/c6-4(5(7,8)9)3-1-2-11-10-3/h1-2,4H
InChIKeyVQDCWZIUOWJBIQ-UHFFFAOYSA-N
XLogP2.25
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.08
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole?
The IUPAC name of 3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole (CID 14341551) is 3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole.
What is the SMILES notation for 3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole?
The canonical SMILES for 3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole is FC(c1ccon1)C(F)(F)F.
What is the InChIKey of 3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole?
The InChIKey is VQDCWZIUOWJBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4NO/c6-4(5(7,8)9)3-1-2-11-10-3/h1-2,4H.
What are the key properties of 3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole?
3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole has a molecular weight of 169.08 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2,2-tetrafluoroethyl)-1,2-oxazole is sourced from PubChem (CID 14341551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).