5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride

C11H6ClF2NO2 — CID 118536790

IUPAC5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)(F)c2ccccc2)on1
InChIInChI=1S/C11H6ClF2NO2/c12-10(16)8-6-9(17-15-8)11(13,14)7-4-2-1-3-5-7/h1-6H
InChIKeyIMOIFMRDGCHFFA-UHFFFAOYSA-N
MW257.62 g/mol
LogP3.19
Rot. Bonds3

About 5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride

5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride (PubChem CID 118536790) has the molecular formula C11H6ClF2NO2 and a molecular weight of 257.62 g/mol. Its IUPAC name is 5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride.

Molecular Properties

Compound Name5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride
PubChem CID118536790
Molecular FormulaC11H6ClF2NO2
Molecular Weight257.62 g/mol
Exact Mass257.01
IUPAC Name5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)(F)c2ccccc2)on1
InChIInChI=1S/C11H6ClF2NO2/c12-10(16)8-6-9(17-15-8)11(13,14)7-4-2-1-3-5-7/h1-6H
InChIKeyIMOIFMRDGCHFFA-UHFFFAOYSA-N
XLogP3.19
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.62
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride?
The IUPAC name of 5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride (CID 118536790) is 5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride.
What is the SMILES notation for 5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride?
The canonical SMILES for 5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride is O=C(Cl)c1cc(C(F)(F)c2ccccc2)on1.
What is the InChIKey of 5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride?
The InChIKey is IMOIFMRDGCHFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2NO2/c12-10(16)8-6-9(17-15-8)11(13,14)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride?
5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride has a molecular weight of 257.62 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro(phenyl)methyl]-1,2-oxazole-3-carbonyl chloride is sourced from PubChem (CID 118536790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).