3-(4-fluorophenyl)-1,4,2-dioxazol-5-one

C8H4FNO3 — CID 155115002

IUPAC3-(4-fluorophenyl)-1,4,2-dioxazol-5-one
SMILESO=c1onc(-c2ccc(F)cc2)o1
InChIInChI=1S/C8H4FNO3/c9-6-3-1-5(2-4-6)7-10-13-8(11)12-7/h1-4H
InChIKeyYRVODBFCTYXIGS-UHFFFAOYSA-N
MW181.12 g/mol
LogP1.43
Rot. Bonds1

About 3-(4-fluorophenyl)-1,4,2-dioxazol-5-one

3-(4-fluorophenyl)-1,4,2-dioxazol-5-one (PubChem CID 155115002) has the molecular formula C8H4FNO3 and a molecular weight of 181.12 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1,4,2-dioxazol-5-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1,4,2-dioxazol-5-one
PubChem CID155115002
Molecular FormulaC8H4FNO3
Molecular Weight181.12 g/mol
Exact Mass181.02
IUPAC Name3-(4-fluorophenyl)-1,4,2-dioxazol-5-one
SMILESO=c1onc(-c2ccc(F)cc2)o1
InChIInChI=1S/C8H4FNO3/c9-6-3-1-5(2-4-6)7-10-13-8(11)12-7/h1-4H
InChIKeyYRVODBFCTYXIGS-UHFFFAOYSA-N
XLogP1.43
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1,4,2-dioxazol-5-one?
The IUPAC name of 3-(4-fluorophenyl)-1,4,2-dioxazol-5-one (CID 155115002) is 3-(4-fluorophenyl)-1,4,2-dioxazol-5-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1,4,2-dioxazol-5-one?
The canonical SMILES for 3-(4-fluorophenyl)-1,4,2-dioxazol-5-one is O=c1onc(-c2ccc(F)cc2)o1.
What is the InChIKey of 3-(4-fluorophenyl)-1,4,2-dioxazol-5-one?
The InChIKey is YRVODBFCTYXIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNO3/c9-6-3-1-5(2-4-6)7-10-13-8(11)12-7/h1-4H.
What are the key properties of 3-(4-fluorophenyl)-1,4,2-dioxazol-5-one?
3-(4-fluorophenyl)-1,4,2-dioxazol-5-one has a molecular weight of 181.12 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1,4,2-dioxazol-5-one is sourced from PubChem (CID 155115002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).