1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone

C7H7F2NO2 — CID 84766775

IUPAC1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C(C)(F)F)o1
InChIInChI=1S/C7H7F2NO2/c1-4(11)5-3-10-6(12-5)7(2,8)9/h3H,1-2H3
InChIKeyNYFJBBQDBFOREQ-UHFFFAOYSA-N
MW175.13 g/mol
LogP1.99
Rot. Bonds2

About 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone

1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 84766775) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone
PubChem CID84766775
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C(C)(F)F)o1
InChIInChI=1S/C7H7F2NO2/c1-4(11)5-3-10-6(12-5)7(2,8)9/h3H,1-2H3
InChIKeyNYFJBBQDBFOREQ-UHFFFAOYSA-N
XLogP1.99
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone (CID 84766775) is 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone is CC(=O)c1cnc(C(C)(F)F)o1.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is NYFJBBQDBFOREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c1-4(11)5-3-10-6(12-5)7(2,8)9/h3H,1-2H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone?
1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 175.13 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 84766775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).