4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine

C7H9FN6O5 — CID 12064091

IUPAC4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1nc(N(C)C)nc(C(F)([N+](=O)[O-])[N+](=O)[O-])n1
InChIInChI=1S/C7H9FN6O5/c1-12(2)5-9-4(10-6(11-5)19-3)7(8,13(15)16)14(17)18/h1-3H3
InChIKeyCNNJOZBXQANBEC-UHFFFAOYSA-N
MW276.18 g/mol
LogP-0.42
Rot. Bonds5

About 4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine

4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 12064091) has the molecular formula C7H9FN6O5 and a molecular weight of 276.18 g/mol. Its IUPAC name is 4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID12064091
Molecular FormulaC7H9FN6O5
Molecular Weight276.18 g/mol
Exact Mass276.06
IUPAC Name4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1nc(N(C)C)nc(C(F)([N+](=O)[O-])[N+](=O)[O-])n1
InChIInChI=1S/C7H9FN6O5/c1-12(2)5-9-4(10-6(11-5)19-3)7(8,13(15)16)14(17)18/h1-3H3
InChIKeyCNNJOZBXQANBEC-UHFFFAOYSA-N
XLogP-0.42
TPSA137.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethoxy-6-trinitromethyl-1,3,5-triazine
CID 15184522
2-Dimethylamino-4,6-bis(trinitromethyl)-1,3,5-triazine
CID 15184529
2,4-Bis(dimethylamino)-6-trinitromethyl-1,3,5-triazine
CID 12062842
2-Dimethylamino-6-methoxy-4-trinitromethyl-1,3,5-triazine
CID 12062843
4-Azido-N,N-dimethyl-6-(trinitromethyl)-1,3,5-triazin-2-amine
CID 12190338
Potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine
CID 15445407
2-Dimethylamino-4-methoxy-6-dinitromethyl-1,3,5-triazine
CID 125485936
2,4-Dimethoxy-6-dinitromethyl-1,3,5-triazine
CID 129735523
Water 2-methoxy-4-amino-6-dinitromethyl-1,3,5-triazine
CID 129744777
2-Methoxy-4-(4'-methyl-piperazino)-6-dinitromethyl-1,3,5-triazine
CID 129761946
2-Diethylamino-6-methoxy-4-trinitromethyl-1,3,5-triazine
CID 129799601
2,4-Dimethoxy-6-nitromethyl-1,3,5-triazine
CID 132278687

Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine (CID 12064091) is 4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine is COc1nc(N(C)C)nc(C(F)([N+](=O)[O-])[N+](=O)[O-])n1.
What is the InChIKey of 4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is CNNJOZBXQANBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN6O5/c1-12(2)5-9-4(10-6(11-5)19-3)7(8,13(15)16)14(17)18/h1-3H3.
What are the key properties of 4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 276.18 g/mol, XLogP of -0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(dinitro)methyl]-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 12064091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).