5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole

C4H4ClF2NO — CID 55252873

IUPAC5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(Cl)C1CN=CO1
InChIInChI=1S/C4H4ClF2NO/c5-4(6,7)3-1-8-2-9-3/h2-3H,1H2
InChIKeyUWZYXHVTBVNSLU-UHFFFAOYSA-N
MW155.53 g/mol
LogP1.25
Rot. Bonds1

About 5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole

5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 55252873) has the molecular formula C4H4ClF2NO and a molecular weight of 155.53 g/mol. Its IUPAC name is 5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole
PubChem CID55252873
Molecular FormulaC4H4ClF2NO
Molecular Weight155.53 g/mol
Exact Mass154.99
IUPAC Name5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(Cl)C1CN=CO1
InChIInChI=1S/C4H4ClF2NO/c5-4(6,7)3-1-8-2-9-3/h2-3H,1H2
InChIKeyUWZYXHVTBVNSLU-UHFFFAOYSA-N
XLogP1.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.53
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole (CID 55252873) is 5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole is FC(F)(Cl)C1CN=CO1.
What is the InChIKey of 5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is UWZYXHVTBVNSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClF2NO/c5-4(6,7)3-1-8-2-9-3/h2-3H,1H2.
What are the key properties of 5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole?
5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 155.53 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 55252873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).