1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone

C6H5F2NO2 — CID 84764295

IUPAC1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone
SMILESCC(=O)c1nc(C(F)F)co1
InChIInChI=1S/C6H5F2NO2/c1-3(10)6-9-4(2-11-6)5(7)8/h2,5H,1H3
InChIKeyAICOCWGWXUGLFL-UHFFFAOYSA-N
MW161.11 g/mol
LogP1.81
Rot. Bonds2

About 1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone

1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone (PubChem CID 84764295) has the molecular formula C6H5F2NO2 and a molecular weight of 161.11 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone
PubChem CID84764295
Molecular FormulaC6H5F2NO2
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone
SMILESCC(=O)c1nc(C(F)F)co1
InChIInChI=1S/C6H5F2NO2/c1-3(10)6-9-4(2-11-6)5(7)8/h2,5H,1H3
InChIKeyAICOCWGWXUGLFL-UHFFFAOYSA-N
XLogP1.81
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-1,3-oxazole-4-carboxylic acid
CID 67168521
4-propan-2-yl-1,3-oxazole-2-carboxylic acid
CID 46737737
methyl 4-(1-aminoethyl)-1,3-oxazole-2-carboxylate
CID 115013695
1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone
CID 84678155
1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]ethanone
CID 84766773
[2-acetyl-6-(difluoromethyl)-4-pyridinyl] carbamate
CID 175332830
ethyl 2-acetyl-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 169163089
2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid
CID 115023782
4-methyl-1,3-oxazole-2-carboxamide
CID 15116130
2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 118854402
1-[2-(4-nitrobenzoyl)-1,3-oxazol-4-yl]ethanone
CID 166504627
1-[4-[4-(difluoromethyl)phenyl]phenyl]ethanone
CID 22760371

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone?
The IUPAC name of 1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone (CID 84764295) is 1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone is CC(=O)c1nc(C(F)F)co1.
What is the InChIKey of 1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone?
The InChIKey is AICOCWGWXUGLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2/c1-3(10)6-9-4(2-11-6)5(7)8/h2,5H,1H3.
What are the key properties of 1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone?
1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone has a molecular weight of 161.11 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-1,3-oxazol-2-yl]ethanone is sourced from PubChem (CID 84764295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).