3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol

C11H17F3N2O3 — CID 116732795

IUPAC3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol
SMILESCCOC(CC)c1noc(C(C)C(O)C(F)(F)F)n1
InChIInChI=1S/C11H17F3N2O3/c1-4-7(18-5-2)9-15-10(19-16-9)6(3)8(17)11(12,13)14/h6-8,17H,4-5H2,1-3H3
InChIKeyUCUMKEUZKXFNSC-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.58
Rot. Bonds6

About 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol

3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol (PubChem CID 116732795) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol
PubChem CID116732795
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol
SMILESCCOC(CC)c1noc(C(C)C(O)C(F)(F)F)n1
InChIInChI=1S/C11H17F3N2O3/c1-4-7(18-5-2)9-15-10(19-16-9)6(3)8(17)11(12,13)14/h6-8,17H,4-5H2,1-3H3
InChIKeyUCUMKEUZKXFNSC-UHFFFAOYSA-N
XLogP2.58
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol (CID 116732795) is 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol is CCOC(CC)c1noc(C(C)C(O)C(F)(F)F)n1.
What is the InChIKey of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol?
The InChIKey is UCUMKEUZKXFNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-4-7(18-5-2)9-15-10(19-16-9)6(3)8(17)11(12,13)14/h6-8,17H,4-5H2,1-3H3.
What are the key properties of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol?
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol has a molecular weight of 282.26 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 116732795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).