4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine

C10H7ClFN5O3 — CID 80873471

IUPAC4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Oc2ccc([N+](=O)[O-])c(F)c2)n1
InChIInChI=1S/C10H7ClFN5O3/c1-13-9-14-8(11)15-10(16-9)20-5-2-3-7(17(18)19)6(12)4-5/h2-4H,1H3,(H,13,14,15,16)
InChIKeyILTYNYMLECCVNE-UHFFFAOYSA-N
MW299.65 g/mol
LogP2.41
Rot. Bonds4

About 4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine

4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80873471) has the molecular formula C10H7ClFN5O3 and a molecular weight of 299.65 g/mol. Its IUPAC name is 4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
PubChem CID80873471
Molecular FormulaC10H7ClFN5O3
Molecular Weight299.65 g/mol
Exact Mass299.02
IUPAC Name4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Oc2ccc([N+](=O)[O-])c(F)c2)n1
InChIInChI=1S/C10H7ClFN5O3/c1-13-9-14-8(11)15-10(16-9)20-5-2-3-7(17(18)19)6(12)4-5/h2-4H,1H3,(H,13,14,15,16)
InChIKeyILTYNYMLECCVNE-UHFFFAOYSA-N
XLogP2.41
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.65
LogP ≤ 52.41
H-Bond Donors ≤ 51
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

4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80880096
4-chloro-N-methyl-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80870763
4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80860682
4-(3-bromo-5-nitrophenoxy)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 103589659
2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine
CID 62857419
4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80870186
2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine
CID 114252491
2-chloro-4-methoxy-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazine
CID 62858305
6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80877339
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
2-(3-chloro-4-nitrophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 4649042
6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 107171804

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine (CID 80873471) is 4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(Oc2ccc([N+](=O)[O-])c(F)c2)n1.
What is the InChIKey of 4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is ILTYNYMLECCVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN5O3/c1-13-9-14-8(11)15-10(16-9)20-5-2-3-7(17(18)19)6(12)4-5/h2-4H,1H3,(H,13,14,15,16).
What are the key properties of 4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 299.65 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80873471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).