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

C6H6FNO2 — CID 84762732

IUPAC1-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)c1cnc(CF)o1
InChIInChI=1S/C6H6FNO2/c1-4(9)5-3-8-6(2-7)10-5/h3H,2H2,1H3
InChIKeyFBQLPLGSTWRTLX-UHFFFAOYSA-N
MW143.12 g/mol
LogP1.35
Rot. Bonds2

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

1-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 84762732) has the molecular formula C6H6FNO2 and a molecular weight of 143.12 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanone
PubChem CID84762732
Molecular FormulaC6H6FNO2
Molecular Weight143.12 g/mol
Exact Mass143.04
IUPAC Name1-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)c1cnc(CF)o1
InChIInChI=1S/C6H6FNO2/c1-4(9)5-3-8-6(2-7)10-5/h3H,2H2,1H3
InChIKeyFBQLPLGSTWRTLX-UHFFFAOYSA-N
XLogP1.35
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 1-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 84762732) is 1-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanone is CC(=O)c1cnc(CF)o1.
What is the InChIKey of 1-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is FBQLPLGSTWRTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2/c1-4(9)5-3-8-6(2-7)10-5/h3H,2H2,1H3.
What are the key properties of 1-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanone?
1-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 143.12 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 84762732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).