4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole

C4H4F3NO2 — CID 123314868

IUPAC4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)OC1COC=N1
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)10-3-1-9-2-8-3/h2-3H,1H2
InChIKeyVHSSEUUIXSSTNA-UHFFFAOYSA-N
MW155.07 g/mol
LogP0.91
Rot. Bonds1

About 4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole

4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole (PubChem CID 123314868) has the molecular formula C4H4F3NO2 and a molecular weight of 155.07 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole
PubChem CID123314868
Molecular FormulaC4H4F3NO2
Molecular Weight155.07 g/mol
Exact Mass155.02
IUPAC Name4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)OC1COC=N1
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)10-3-1-9-2-8-3/h2-3H,1H2
InChIKeyVHSSEUUIXSSTNA-UHFFFAOYSA-N
XLogP0.91
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole (CID 123314868) is 4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole is FC(F)(F)OC1COC=N1.
What is the InChIKey of 4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole?
The InChIKey is VHSSEUUIXSSTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO2/c5-4(6,7)10-3-1-9-2-8-3/h2-3H,1H2.
What are the key properties of 4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole?
4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole has a molecular weight of 155.07 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 123314868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).