5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol

C7H8BrF4NO2 — CID 10402161

IUPAC5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol
SMILESCCC1=NOC(O)(C(F)(F)C(F)(F)Br)C1
InChIInChI=1S/C7H8BrF4NO2/c1-2-4-3-5(14,15-13-4)6(9,10)7(8,11)12/h14H,2-3H2,1H3
InChIKeyNRUIOWKUDUXMIZ-UHFFFAOYSA-N
MW294.04 g/mol
LogP2.48
Rot. Bonds3

About 5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol

5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol (PubChem CID 10402161) has the molecular formula C7H8BrF4NO2 and a molecular weight of 294.04 g/mol. Its IUPAC name is 5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol
PubChem CID10402161
Molecular FormulaC7H8BrF4NO2
Molecular Weight294.04 g/mol
Exact Mass292.97
IUPAC Name5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol
SMILESCCC1=NOC(O)(C(F)(F)C(F)(F)Br)C1
InChIInChI=1S/C7H8BrF4NO2/c1-2-4-3-5(14,15-13-4)6(9,10)7(8,11)12/h14H,2-3H2,1H3
InChIKeyNRUIOWKUDUXMIZ-UHFFFAOYSA-N
XLogP2.48
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-5-(trifluoromethyl)-2-isoxazolin-5-ol
CID 10058180
5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-methyl-4H-1,2-oxazol-5-ol
CID 10107682
5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-4H-1,2-oxazol-5-ol
CID 134108573

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol (CID 10402161) is 5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol is CCC1=NOC(O)(C(F)(F)C(F)(F)Br)C1.
What is the InChIKey of 5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol?
The InChIKey is NRUIOWKUDUXMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF4NO2/c1-2-4-3-5(14,15-13-4)6(9,10)7(8,11)12/h14H,2-3H2,1H3.
What are the key properties of 5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol?
5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol has a molecular weight of 294.04 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-1,1,2,2-tetrafluoroethyl)-3-ethyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 10402161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).