8-fluoro-4H-chromeno[3,4-d][1,2]oxazole

C10H6FNO2 — CID 55255299

IUPAC8-fluoro-4H-chromeno[3,4-d][1,2]oxazole
SMILESFc1ccc2c(c1)-c1oncc1CO2
InChIInChI=1S/C10H6FNO2/c11-7-1-2-9-8(3-7)10-6(5-13-9)4-12-14-10/h1-4H,5H2
InChIKeyHLXGFCLKWCQDRJ-UHFFFAOYSA-N
MW191.16 g/mol
LogP2.37
Rot. Bonds

About 8-fluoro-4H-chromeno[3,4-d][1,2]oxazole

8-fluoro-4H-chromeno[3,4-d][1,2]oxazole (PubChem CID 55255299) has the molecular formula C10H6FNO2 and a molecular weight of 191.16 g/mol. Its IUPAC name is 8-fluoro-4H-chromeno[3,4-d][1,2]oxazole.

Molecular Properties

Compound Name8-fluoro-4H-chromeno[3,4-d][1,2]oxazole
PubChem CID55255299
Molecular FormulaC10H6FNO2
Molecular Weight191.16 g/mol
Exact Mass191.04
IUPAC Name8-fluoro-4H-chromeno[3,4-d][1,2]oxazole
SMILESFc1ccc2c(c1)-c1oncc1CO2
InChIInChI=1S/C10H6FNO2/c11-7-1-2-9-8(3-7)10-6(5-13-9)4-12-14-10/h1-4H,5H2
InChIKeyHLXGFCLKWCQDRJ-UHFFFAOYSA-N
XLogP2.37
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4H-chromeno[3,4-d][1,2]oxazole?
The IUPAC name of 8-fluoro-4H-chromeno[3,4-d][1,2]oxazole (CID 55255299) is 8-fluoro-4H-chromeno[3,4-d][1,2]oxazole.
What is the SMILES notation for 8-fluoro-4H-chromeno[3,4-d][1,2]oxazole?
The canonical SMILES for 8-fluoro-4H-chromeno[3,4-d][1,2]oxazole is Fc1ccc2c(c1)-c1oncc1CO2.
What is the InChIKey of 8-fluoro-4H-chromeno[3,4-d][1,2]oxazole?
The InChIKey is HLXGFCLKWCQDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2/c11-7-1-2-9-8(3-7)10-6(5-13-9)4-12-14-10/h1-4H,5H2.
What are the key properties of 8-fluoro-4H-chromeno[3,4-d][1,2]oxazole?
8-fluoro-4H-chromeno[3,4-d][1,2]oxazole has a molecular weight of 191.16 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4H-chromeno[3,4-d][1,2]oxazole is sourced from PubChem (CID 55255299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).