1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone

C11H9F2NO2 — CID 91309997

IUPAC1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)C1=CC(c2c(F)cccc2F)ON1
InChIInChI=1S/C11H9F2NO2/c1-6(15)9-5-10(16-14-9)11-7(12)3-2-4-8(11)13/h2-5,10,14H,1H3
InChIKeyHQCQTHFGLRJEAC-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.01
Rot. Bonds2

About 1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone

1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone (PubChem CID 91309997) has the molecular formula C11H9F2NO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
PubChem CID91309997
Molecular FormulaC11H9F2NO2
Molecular Weight225.19 g/mol
Exact Mass225.06
IUPAC Name1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)C1=CC(c2c(F)cccc2F)ON1
InChIInChI=1S/C11H9F2NO2/c1-6(15)9-5-10(16-14-9)11-7(12)3-2-4-8(11)13/h2-5,10,14H,1H3
InChIKeyHQCQTHFGLRJEAC-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone (CID 91309997) is 1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone is CC(=O)C1=CC(c2c(F)cccc2F)ON1.
What is the InChIKey of 1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone?
The InChIKey is HQCQTHFGLRJEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2/c1-6(15)9-5-10(16-14-9)11-7(12)3-2-4-8(11)13/h2-5,10,14H,1H3.
What are the key properties of 1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone?
1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone has a molecular weight of 225.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 91309997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).