1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one

C8H9F3N2O3 — CID 63344922

IUPAC1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCOCCc1noc(CC(=O)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O3/c1-15-3-2-6-12-7(16-13-6)4-5(14)8(9,10)11/h2-4H2,1H3
InChIKeyYZRYBQISNYVODF-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.93
Rot. Bonds5

About 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one

1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one (PubChem CID 63344922) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
PubChem CID63344922
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCOCCc1noc(CC(=O)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O3/c1-15-3-2-6-12-7(16-13-6)4-5(14)8(9,10)11/h2-4H2,1H3
InChIKeyYZRYBQISNYVODF-UHFFFAOYSA-N
XLogP0.93
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one (CID 63344922) is 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one is COCCc1noc(CC(=O)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The InChIKey is YZRYBQISNYVODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-15-3-2-6-12-7(16-13-6)4-5(14)8(9,10)11/h2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one?
1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one has a molecular weight of 238.16 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-one is sourced from PubChem (CID 63344922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).