6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one

C10H9BrFNO2 — CID 118240664

IUPAC6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2cc(F)c(Br)cc2N(C)C1=O
InChIInChI=1S/C10H9BrFNO2/c1-5-10(14)13(2)8-3-6(11)7(12)4-9(8)15-5/h3-5H,1-2H3
InChIKeyWWCXBENYJMJWBL-UHFFFAOYSA-N
MW274.09 g/mol
LogP2.33
Rot. Bonds

About 6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one

6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one (PubChem CID 118240664) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is 6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one
PubChem CID118240664
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2cc(F)c(Br)cc2N(C)C1=O
InChIInChI=1S/C10H9BrFNO2/c1-5-10(14)13(2)8-3-6(11)7(12)4-9(8)15-5/h3-5H,1-2H3
InChIKeyWWCXBENYJMJWBL-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one (CID 118240664) is 6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one is CC1Oc2cc(F)c(Br)cc2N(C)C1=O.
What is the InChIKey of 6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is WWCXBENYJMJWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c1-5-10(14)13(2)8-3-6(11)7(12)4-9(8)15-5/h3-5H,1-2H3.
What are the key properties of 6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one?
6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 274.09 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-2,4-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 118240664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).