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

C4H4F3NO — CID 123514135

IUPAC4-(trifluoromethyl)-2,5-dihydro-1,2-oxazole
SMILESFC(F)(F)C1=CNOC1
InChIInChI=1S/C4H4F3NO/c5-4(6,7)3-1-8-9-2-3/h1,8H,2H2
InChIKeyCHGYHAPOQKALLO-UHFFFAOYSA-N
MW139.08 g/mol
LogP0.97
Rot. Bonds

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

4-(trifluoromethyl)-2,5-dihydro-1,2-oxazole (PubChem CID 123514135) has the molecular formula C4H4F3NO and a molecular weight of 139.08 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-(trifluoromethyl)-2,5-dihydro-1,2-oxazole
PubChem CID123514135
Molecular FormulaC4H4F3NO
Molecular Weight139.08 g/mol
Exact Mass139.02
IUPAC Name4-(trifluoromethyl)-2,5-dihydro-1,2-oxazole
SMILESFC(F)(F)C1=CNOC1
InChIInChI=1S/C4H4F3NO/c5-4(6,7)3-1-8-9-2-3/h1,8H,2H2
InChIKeyCHGYHAPOQKALLO-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.08
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 118468054
CID 118468054
CID 56621814
CID 56621814

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 4-(trifluoromethyl)-2,5-dihydro-1,2-oxazole (CID 123514135) is 4-(trifluoromethyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-(trifluoromethyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-(trifluoromethyl)-2,5-dihydro-1,2-oxazole is FC(F)(F)C1=CNOC1.
What is the InChIKey of 4-(trifluoromethyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is CHGYHAPOQKALLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO/c5-4(6,7)3-1-8-9-2-3/h1,8H,2H2.
What are the key properties of 4-(trifluoromethyl)-2,5-dihydro-1,2-oxazole?
4-(trifluoromethyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 139.08 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 123514135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).