4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one

C8H9F4NO2 — CID 71366180

IUPAC4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one
SMILESCC(C)C1=NC(C(F)(F)C(F)F)OC1=O
InChIInChI=1S/C8H9F4NO2/c1-3(2)4-5(14)15-7(13-4)8(11,12)6(9)10/h3,6-7H,1-2H3
InChIKeyVOYBSYXQKRVJMJ-UHFFFAOYSA-N
MW227.16 g/mol
LogP1.87
Rot. Bonds3

About 4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one

4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one (PubChem CID 71366180) has the molecular formula C8H9F4NO2 and a molecular weight of 227.16 g/mol. Its IUPAC name is 4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one
PubChem CID71366180
Molecular FormulaC8H9F4NO2
Molecular Weight227.16 g/mol
Exact Mass227.06
IUPAC Name4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one
SMILESCC(C)C1=NC(C(F)(F)C(F)F)OC1=O
InChIInChI=1S/C8H9F4NO2/c1-3(2)4-5(14)15-7(13-4)8(11,12)6(9)10/h3,6-7H,1-2H3
InChIKeyVOYBSYXQKRVJMJ-UHFFFAOYSA-N
XLogP1.87
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one?
The IUPAC name of 4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one (CID 71366180) is 4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one.
What is the SMILES notation for 4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one?
The canonical SMILES for 4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one is CC(C)C1=NC(C(F)(F)C(F)F)OC1=O.
What is the InChIKey of 4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one?
The InChIKey is VOYBSYXQKRVJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4NO2/c1-3(2)4-5(14)15-7(13-4)8(11,12)6(9)10/h3,6-7H,1-2H3.
What are the key properties of 4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one?
4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one has a molecular weight of 227.16 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(1,1,2,2-tetrafluoroethyl)-2H-1,3-oxazol-5-one is sourced from PubChem (CID 71366180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).