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

C11H8FNO2 — CID 70356219

IUPAC8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole
SMILESCC1Oc2ccc(F)cc2-c2oncc21
InChIInChI=1S/C11H8FNO2/c1-6-9-5-13-15-11(9)8-4-7(12)2-3-10(8)14-6/h2-6H,1H3
InChIKeyXLLBAFQOVJUUGF-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.93
Rot. Bonds

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

8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole (PubChem CID 70356219) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole.

Molecular Properties

Compound Name8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole
PubChem CID70356219
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole
SMILESCC1Oc2ccc(F)cc2-c2oncc21
InChIInChI=1S/C11H8FNO2/c1-6-9-5-13-15-11(9)8-4-7(12)2-3-10(8)14-6/h2-6H,1H3
InChIKeyXLLBAFQOVJUUGF-UHFFFAOYSA-N
XLogP2.93
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole?
The IUPAC name of 8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole (CID 70356219) is 8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole.
What is the SMILES notation for 8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole?
The canonical SMILES for 8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole is CC1Oc2ccc(F)cc2-c2oncc21.
What is the InChIKey of 8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole?
The InChIKey is XLLBAFQOVJUUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c1-6-9-5-13-15-11(9)8-4-7(12)2-3-10(8)14-6/h2-6H,1H3.
What are the key properties of 8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole?
8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole has a molecular weight of 205.19 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole is sourced from PubChem (CID 70356219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).