3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole

C11H9ClF3NO — CID 91468760

IUPAC3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1ccccc1C1C=C(CCl)NO1
InChIInChI=1S/C11H9ClF3NO/c12-6-7-5-10(17-16-7)8-3-1-2-4-9(8)11(13,14)15/h1-5,10,16H,6H2
InChIKeyARKFUKWUPMZGHM-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.40
Rot. Bonds2

About 3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole

3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole (PubChem CID 91468760) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is 3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
PubChem CID91468760
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1ccccc1C1C=C(CCl)NO1
InChIInChI=1S/C11H9ClF3NO/c12-6-7-5-10(17-16-7)8-3-1-2-4-9(8)11(13,14)15/h1-5,10,16H,6H2
InChIKeyARKFUKWUPMZGHM-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.40
H-Bond Donors ≤ 51
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 3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole (CID 91468760) is 3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole is FC(F)(F)c1ccccc1C1C=C(CCl)NO1.
What is the InChIKey of 3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is ARKFUKWUPMZGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO/c12-6-7-5-10(17-16-7)8-3-1-2-4-9(8)11(13,14)15/h1-5,10,16H,6H2.
What are the key properties of 3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 263.65 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91468760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).