3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol

C9H13F3N2O3 — CID 64534442

IUPAC3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCOC(C)c1noc(CC(O)C(F)(F)F)n1
InChIInChI=1S/C9H13F3N2O3/c1-3-16-5(2)8-13-7(17-14-8)4-6(15)9(10,11)12/h5-6,15H,3-4H2,1-2H3
InChIKeyCWAVPDFFPOVNAW-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.63
Rot. Bonds5

About 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol

3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 64534442) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID64534442
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCOC(C)c1noc(CC(O)C(F)(F)F)n1
InChIInChI=1S/C9H13F3N2O3/c1-3-16-5(2)8-13-7(17-14-8)4-6(15)9(10,11)12/h5-6,15H,3-4H2,1-2H3
InChIKeyCWAVPDFFPOVNAW-UHFFFAOYSA-N
XLogP1.63
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol (CID 64534442) is 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol is CCOC(C)c1noc(CC(O)C(F)(F)F)n1.
What is the InChIKey of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is CWAVPDFFPOVNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c1-3-16-5(2)8-13-7(17-14-8)4-6(15)9(10,11)12/h5-6,15H,3-4H2,1-2H3.
What are the key properties of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 254.21 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 64534442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).