2,2-difluoro-4-methyl-1,4-benzoxazin-3-one

C9H7F2NO2 — CID 83853065

IUPAC2,2-difluoro-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)C(F)(F)Oc2ccccc21
InChIInChI=1S/C9H7F2NO2/c1-12-6-4-2-3-5-7(6)14-9(10,11)8(12)13/h2-5H,1H3
InChIKeyRUVYBWDQZHXMNE-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.63
Rot. Bonds

About 2,2-difluoro-4-methyl-1,4-benzoxazin-3-one

2,2-difluoro-4-methyl-1,4-benzoxazin-3-one (PubChem CID 83853065) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is 2,2-difluoro-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2,2-difluoro-4-methyl-1,4-benzoxazin-3-one
PubChem CID83853065
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name2,2-difluoro-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)C(F)(F)Oc2ccccc21
InChIInChI=1S/C9H7F2NO2/c1-12-6-4-2-3-5-7(6)14-9(10,11)8(12)13/h2-5H,1H3
InChIKeyRUVYBWDQZHXMNE-UHFFFAOYSA-N
XLogP1.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 2,2-difluoro-4-methyl-1,4-benzoxazin-3-one (CID 83853065) is 2,2-difluoro-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 2,2-difluoro-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 2,2-difluoro-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)C(F)(F)Oc2ccccc21.
What is the InChIKey of 2,2-difluoro-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is RUVYBWDQZHXMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO2/c1-12-6-4-2-3-5-7(6)14-9(10,11)8(12)13/h2-5H,1H3.
What are the key properties of 2,2-difluoro-4-methyl-1,4-benzoxazin-3-one?
2,2-difluoro-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 199.16 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 83853065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).