2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine

C11H8ClFN4O4 — CID 114416610

IUPAC2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Oc2cc(C)c([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C11H8ClFN4O4/c1-5-3-8(6(13)4-7(5)17(18)19)21-11-15-9(12)14-10(16-11)20-2/h3-4H,1-2H3
InChIKeyQXKVYHUZPFWAQF-UHFFFAOYSA-N
MW314.66 g/mol
LogP2.68
Rot. Bonds4

About 2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine

2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine (PubChem CID 114416610) has the molecular formula C11H8ClFN4O4 and a molecular weight of 314.66 g/mol. Its IUPAC name is 2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine
PubChem CID114416610
Molecular FormulaC11H8ClFN4O4
Molecular Weight314.66 g/mol
Exact Mass314.02
IUPAC Name2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Oc2cc(C)c([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C11H8ClFN4O4/c1-5-3-8(6(13)4-7(5)17(18)19)21-11-15-9(12)14-10(16-11)20-2/h3-4H,1-2H3
InChIKeyQXKVYHUZPFWAQF-UHFFFAOYSA-N
XLogP2.68
TPSA100.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.66
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine
CID 63180759
2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859158
2-chloro-4-methoxy-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazine
CID 62858305
4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
CID 114416597
4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole
CID 114416576
2-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidine-5-carbaldehyde
CID 114417001
6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 114418468
2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine
CID 112754869
2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine
CID 114252491
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine (CID 114416610) is 2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(Oc2cc(C)c([N+](=O)[O-])cc2F)n1.
What is the InChIKey of 2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine?
The InChIKey is QXKVYHUZPFWAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN4O4/c1-5-3-8(6(13)4-7(5)17(18)19)21-11-15-9(12)14-10(16-11)20-2/h3-4H,1-2H3.
What are the key properties of 2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine?
2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine has a molecular weight of 314.66 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 114416610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).