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

C4H4F3NO — CID 13429037

IUPAC2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)C1=NCCO1
InChIInChI=1S/C4H4F3NO/c5-4(6,7)3-8-1-2-9-3/h1-2H2
InChIKeyAEHUIFJAPQKBLA-UHFFFAOYSA-N
MW139.08 g/mol
LogP0.98
Rot. Bonds

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

2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 13429037) has the molecular formula C4H4F3NO and a molecular weight of 139.08 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
PubChem CID13429037
Molecular FormulaC4H4F3NO
Molecular Weight139.08 g/mol
Exact Mass139.02
IUPAC Name2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)C1=NCCO1
InChIInChI=1S/C4H4F3NO/c5-4(6,7)3-8-1-2-9-3/h1-2H2
InChIKeyAEHUIFJAPQKBLA-UHFFFAOYSA-N
XLogP0.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.08
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole (CID 13429037) is 2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole is FC(F)(F)C1=NCCO1.
What is the InChIKey of 2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is AEHUIFJAPQKBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO/c5-4(6,7)3-8-1-2-9-3/h1-2H2.
What are the key properties of 2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 139.08 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 13429037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).