[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol

C6H5F4NO3 — CID 22261992

IUPAC[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(OC(F)(F)C(F)F)no1
InChIInChI=1S/C6H5F4NO3/c7-5(8)6(9,10)13-4-1-3(2-12)14-11-4/h1,5,12H,2H2
InChIKeyXJQZXQBYVZAKGA-UHFFFAOYSA-N
MW215.10 g/mol
LogP1.40
Rot. Bonds4

About [3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol

[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol (PubChem CID 22261992) has the molecular formula C6H5F4NO3 and a molecular weight of 215.10 g/mol. Its IUPAC name is [3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol
PubChem CID22261992
Molecular FormulaC6H5F4NO3
Molecular Weight215.10 g/mol
Exact Mass215.02
IUPAC Name[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(OC(F)(F)C(F)F)no1
InChIInChI=1S/C6H5F4NO3/c7-5(8)6(9,10)13-4-1-3(2-12)14-11-4/h1,5,12H,2H2
InChIKeyXJQZXQBYVZAKGA-UHFFFAOYSA-N
XLogP1.40
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.10
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol (CID 22261992) is [3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol is OCc1cc(OC(F)(F)C(F)F)no1.
What is the InChIKey of [3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol?
The InChIKey is XJQZXQBYVZAKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4NO3/c7-5(8)6(9,10)13-4-1-3(2-12)14-11-4/h1,5,12H,2H2.
What are the key properties of [3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol?
[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol has a molecular weight of 215.10 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 22261992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).