6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione

C8H2Br2FNO3 — CID 122200694

IUPAC6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione
SMILESO=c1[nH]c2c(Br)cc(Br)c(F)c2c(=O)o1
InChIInChI=1S/C8H2Br2FNO3/c9-2-1-3(10)6-4(5(2)11)7(13)15-8(14)12-6/h1H,(H,12,14)
InChIKeySYRAURCJTOREQU-UHFFFAOYSA-N
MW338.91 g/mol
LogP2.15
Rot. Bonds

About 6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione

6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione (PubChem CID 122200694) has the molecular formula C8H2Br2FNO3 and a molecular weight of 338.91 g/mol. Its IUPAC name is 6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione
PubChem CID122200694
Molecular FormulaC8H2Br2FNO3
Molecular Weight338.91 g/mol
Exact Mass336.84
IUPAC Name6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione
SMILESO=c1[nH]c2c(Br)cc(Br)c(F)c2c(=O)o1
InChIInChI=1S/C8H2Br2FNO3/c9-2-1-3(10)6-4(5(2)11)7(13)15-8(14)12-6/h1H,(H,12,14)
InChIKeySYRAURCJTOREQU-UHFFFAOYSA-N
XLogP2.15
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.91
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

8-bromo-5-chloro-6-methyl-1H-3,1-benzoxazine-2,4-dione
CID 104725255
5-bromo-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 63109373
6,7,8-trifluoro-1H-3,1-benzoxazine-2,4-dione
CID 63109413
5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 63109398
6-bromo-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 22493297
5-bromo-4,7-dichloro-3H-1,3-benzoxazol-2-one
CID 107663268
8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
CID 170859899
7-bromo-5-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 130065009
4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one
CID 15675947
8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
CID 12592798
7-amino-3,4,5-trifluorochromen-2-one
CID 87063496
8-bromo-6-fluoro-4-hydroxy-5-methoxy-1H-quinolin-2-one
CID 169256273

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione (CID 122200694) is 6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione is O=c1[nH]c2c(Br)cc(Br)c(F)c2c(=O)o1.
What is the InChIKey of 6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is SYRAURCJTOREQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Br2FNO3/c9-2-1-3(10)6-4(5(2)11)7(13)15-8(14)12-6/h1H,(H,12,14).
What are the key properties of 6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione?
6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 338.91 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 122200694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).