8-fluoro-4-methyl-1,4-benzoxazin-3-one

C9H8FNO2 — CID 66697398

IUPAC8-fluoro-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2c(F)cccc21
InChIInChI=1S/C9H8FNO2/c1-11-7-4-2-3-6(10)9(7)13-5-8(11)12/h2-4H,5H2,1H3
InChIKeyCQLANPFCUCXPCU-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.18
Rot. Bonds

About 8-fluoro-4-methyl-1,4-benzoxazin-3-one

8-fluoro-4-methyl-1,4-benzoxazin-3-one (PubChem CID 66697398) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 8-fluoro-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-fluoro-4-methyl-1,4-benzoxazin-3-one
PubChem CID66697398
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name8-fluoro-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2c(F)cccc21
InChIInChI=1S/C9H8FNO2/c1-11-7-4-2-3-6(10)9(7)13-5-8(11)12/h2-4H,5H2,1H3
InChIKeyCQLANPFCUCXPCU-UHFFFAOYSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 8-fluoro-4-methyl-1,4-benzoxazin-3-one (CID 66697398) is 8-fluoro-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-fluoro-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 8-fluoro-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2c(F)cccc21.
What is the InChIKey of 8-fluoro-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is CQLANPFCUCXPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c1-11-7-4-2-3-6(10)9(7)13-5-8(11)12/h2-4H,5H2,1H3.
What are the key properties of 8-fluoro-4-methyl-1,4-benzoxazin-3-one?
8-fluoro-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 181.17 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 66697398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).