5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole

C6H3ClF5NO — CID 164658928

IUPAC5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole
SMILESFC(F)(F)C(F)(F)c1ncc(CCl)o1
InChIInChI=1S/C6H3ClF5NO/c7-1-3-2-13-4(14-3)5(8,9)6(10,11)12/h2H,1H2
InChIKeyNDAHXCUWDSQJJI-UHFFFAOYSA-N
MW235.54 g/mol
LogP3.07
Rot. Bonds2

About 5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole

5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole (PubChem CID 164658928) has the molecular formula C6H3ClF5NO and a molecular weight of 235.54 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole
PubChem CID164658928
Molecular FormulaC6H3ClF5NO
Molecular Weight235.54 g/mol
Exact Mass234.98
IUPAC Name5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole
SMILESFC(F)(F)C(F)(F)c1ncc(CCl)o1
InChIInChI=1S/C6H3ClF5NO/c7-1-3-2-13-4(14-3)5(8,9)6(10,11)12/h2H,1H2
InChIKeyNDAHXCUWDSQJJI-UHFFFAOYSA-N
XLogP3.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.54
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole?
The IUPAC name of 5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole (CID 164658928) is 5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole.
What is the SMILES notation for 5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole?
The canonical SMILES for 5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole is FC(F)(F)C(F)(F)c1ncc(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole?
The InChIKey is NDAHXCUWDSQJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF5NO/c7-1-3-2-13-4(14-3)5(8,9)6(10,11)12/h2H,1H2.
What are the key properties of 5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole?
5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole has a molecular weight of 235.54 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole is sourced from PubChem (CID 164658928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).