4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine

C10H8FN5O4 — CID 80870869

IUPAC4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Oc2ccc([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C10H8FN5O4/c1-19-9-13-8(12)14-10(15-9)20-7-3-2-5(16(17)18)4-6(7)11/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyJSIQVYDRJYWRSV-UHFFFAOYSA-N
MW281.20 g/mol
LogP1.30
Rot. Bonds4

About 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine

4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80870869) has the molecular formula C10H8FN5O4 and a molecular weight of 281.20 g/mol. Its IUPAC name is 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80870869
Molecular FormulaC10H8FN5O4
Molecular Weight281.20 g/mol
Exact Mass281.06
IUPAC Name4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Oc2ccc([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C10H8FN5O4/c1-19-9-13-8(12)14-10(15-9)20-7-3-2-5(16(17)18)4-6(7)11/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyJSIQVYDRJYWRSV-UHFFFAOYSA-N
XLogP1.30
TPSA126.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80871675
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202380
2-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545863
6-(2-fluoro-4-nitrophenoxy)pyridin-2-amine
CID 80653072
2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine
CID 80878884
6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80880404
4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80867191
2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline
CID 141314832
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine (CID 80870869) is 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(Oc2ccc([N+](=O)[O-])cc2F)n1.
What is the InChIKey of 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is JSIQVYDRJYWRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5O4/c1-19-9-13-8(12)14-10(15-9)20-7-3-2-5(16(17)18)4-6(7)11/h2-4H,1H3,(H2,12,13,14,15).
What are the key properties of 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine?
4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 281.20 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80870869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).