[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol

C8H10F3NO3 — CID 103213590

IUPAC[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol
SMILESOCc1ncoc1CCOCC(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)4-14-2-1-7-6(3-13)12-5-15-7/h5,13H,1-4H2
InChIKeyZJFJYNLSPCQTKF-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.29
Rot. Bonds5

About [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol

[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol (PubChem CID 103213590) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol
PubChem CID103213590
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol
SMILESOCc1ncoc1CCOCC(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)4-14-2-1-7-6(3-13)12-5-15-7/h5,13H,1-4H2
InChIKeyZJFJYNLSPCQTKF-UHFFFAOYSA-N
XLogP1.29
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol (CID 103213590) is [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol is OCc1ncoc1CCOCC(F)(F)F.
What is the InChIKey of [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol?
The InChIKey is ZJFJYNLSPCQTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)4-14-2-1-7-6(3-13)12-5-15-7/h5,13H,1-4H2.
What are the key properties of [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol?
[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol has a molecular weight of 225.17 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 103213590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).