3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

C5H5F4NO — CID 71663143

IUPAC3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESFCC1=NOC(C(F)(F)F)C1
InChIInChI=1S/C5H5F4NO/c6-2-3-1-4(11-10-3)5(7,8)9/h4H,1-2H2
InChIKeyJSIYVOQHMIZJEK-UHFFFAOYSA-N
MW171.09 g/mol
LogP1.66
Rot. Bonds1

About 3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 71663143) has the molecular formula C5H5F4NO and a molecular weight of 171.09 g/mol. Its IUPAC name is 3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
PubChem CID71663143
Molecular FormulaC5H5F4NO
Molecular Weight171.09 g/mol
Exact Mass171.03
IUPAC Name3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESFCC1=NOC(C(F)(F)F)C1
InChIInChI=1S/C5H5F4NO/c6-2-3-1-4(11-10-3)5(7,8)9/h4H,1-2H2
InChIKeyJSIYVOQHMIZJEK-UHFFFAOYSA-N
XLogP1.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.09
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (CID 71663143) is 3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is FCC1=NOC(C(F)(F)F)C1.
What is the InChIKey of 3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is JSIYVOQHMIZJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F4NO/c6-2-3-1-4(11-10-3)5(7,8)9/h4H,1-2H2.
What are the key properties of 3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 171.09 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71663143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).