methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate

C7H5F4NO4 — CID 22262066

IUPACmethyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(OC(F)(F)C(F)F)no1
InChIInChI=1S/C7H5F4NO4/c1-14-5(13)3-2-4(12-16-3)15-7(10,11)6(8)9/h2,6H,1H3
InChIKeyOONCTRPISHJSKK-UHFFFAOYSA-N
MW243.11 g/mol
LogP1.70
Rot. Bonds4

About methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate

methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate (PubChem CID 22262066) has the molecular formula C7H5F4NO4 and a molecular weight of 243.11 g/mol. Its IUPAC name is methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate
PubChem CID22262066
Molecular FormulaC7H5F4NO4
Molecular Weight243.11 g/mol
Exact Mass243.02
IUPAC Namemethyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(OC(F)(F)C(F)F)no1
InChIInChI=1S/C7H5F4NO4/c1-14-5(13)3-2-4(12-16-3)15-7(10,11)6(8)9/h2,6H,1H3
InChIKeyOONCTRPISHJSKK-UHFFFAOYSA-N
XLogP1.70
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate (CID 22262066) is methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate is COC(=O)c1cc(OC(F)(F)C(F)F)no1.
What is the InChIKey of methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate?
The InChIKey is OONCTRPISHJSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO4/c1-14-5(13)3-2-4(12-16-3)15-7(10,11)6(8)9/h2,6H,1H3.
What are the key properties of methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate?
methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate has a molecular weight of 243.11 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 22262066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).