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

C11H10FN5O4 — CID 80880096

IUPAC4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(Oc2ccc([N+](=O)[O-])c(F)c2)n1
InChIInChI=1S/C11H10FN5O4/c1-13-9-14-10(20-2)16-11(15-9)21-6-3-4-8(17(18)19)7(12)5-6/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyGIBDDPNWEKBRLH-UHFFFAOYSA-N
MW295.23 g/mol
LogP1.76
Rot. Bonds5

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

4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80880096) has the molecular formula C11H10FN5O4 and a molecular weight of 295.23 g/mol. Its IUPAC name is 4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID80880096
Molecular FormulaC11H10FN5O4
Molecular Weight295.23 g/mol
Exact Mass295.07
IUPAC Name4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(Oc2ccc([N+](=O)[O-])c(F)c2)n1
InChIInChI=1S/C11H10FN5O4/c1-13-9-14-10(20-2)16-11(15-9)21-6-3-4-8(17(18)19)7(12)5-6/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyGIBDDPNWEKBRLH-UHFFFAOYSA-N
XLogP1.76
TPSA112.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 51.76
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

4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80873471
4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80871960
2-(3-chloro-4-nitrophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 4649042
4-chloro-N-methyl-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80870763
2-chloro-4-methoxy-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazine
CID 62858305
4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202380
6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80877339
[4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80920555
6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 107171804
6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 107171788
N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80879017
[4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80912368

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 80880096) is 4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is CNc1nc(OC)nc(Oc2ccc([N+](=O)[O-])c(F)c2)n1.
What is the InChIKey of 4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is GIBDDPNWEKBRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O4/c1-13-9-14-10(20-2)16-11(15-9)21-6-3-4-8(17(18)19)7(12)5-6/h3-5H,1-2H3,(H,13,14,15,16).
What are the key properties of 4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 295.23 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80880096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).