2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine

C11H8BrF2N3O3 — CID 107099157

IUPAC2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(Oc2cc(Br)cc(F)c2F)n1
InChIInChI=1S/C11H8BrF2N3O3/c1-18-9-15-10(19-2)17-11(16-9)20-7-4-5(12)3-6(13)8(7)14/h3-4H,1-2H3
InChIKeyFDPYQYHWDNECLE-UHFFFAOYSA-N
MW348.10 g/mol
LogP2.72
Rot. Bonds4

About 2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine

2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine (PubChem CID 107099157) has the molecular formula C11H8BrF2N3O3 and a molecular weight of 348.10 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
PubChem CID107099157
Molecular FormulaC11H8BrF2N3O3
Molecular Weight348.10 g/mol
Exact Mass346.97
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(Oc2cc(Br)cc(F)c2F)n1
InChIInChI=1S/C11H8BrF2N3O3/c1-18-9-15-10(19-2)17-11(16-9)20-7-4-5(12)3-6(13)8(7)14/h3-4H,1-2H3
InChIKeyFDPYQYHWDNECLE-UHFFFAOYSA-N
XLogP2.72
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.10
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine
CID 107099173
2-(5-bromo-2,3-difluorophenoxy)-5-iodopyrimidine
CID 107099203
2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline
CID 107097473
6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine
CID 107102826
2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole
CID 107099338
5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine
CID 107099541
4-(2,3-difluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80879795
5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline
CID 65431100
5-bromo-1-(3,3-dimethylbutoxy)-2,3-difluorobenzene
CID 107098584
2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
CID 107099142
4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
CID 107099516
2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 107100969

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine (CID 107099157) is 2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(Oc2cc(Br)cc(F)c2F)n1.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is FDPYQYHWDNECLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3O3/c1-18-9-15-10(19-2)17-11(16-9)20-7-4-5(12)3-6(13)8(7)14/h3-4H,1-2H3.
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine?
2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 348.10 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 107099157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).