1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine

C15H12F2N5+ — CID 11659440

IUPAC1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine
SMILESNc1nc(N)[n+](-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H11F2N5/c16-10-3-1-9(2-4-10)13-20-14(18)21-15(19)22(13)12-7-5-11(17)6-8-12/h1-8H,(H3,18,19,21)/p+1
InChIKeyWZXDIDNXKGZFTJ-UHFFFAOYSA-O
MW300.29 g/mol
LogP1.86
Rot. Bonds2

About 1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine

1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine (PubChem CID 11659440) has the molecular formula C15H12F2N5+ and a molecular weight of 300.29 g/mol. Its IUPAC name is 1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine.

Molecular Properties

Compound Name1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine
PubChem CID11659440
Molecular FormulaC15H12F2N5+
Molecular Weight300.29 g/mol
Exact Mass300.11
IUPAC Name1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine
SMILESNc1nc(N)[n+](-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H11F2N5/c16-10-3-1-9(2-4-10)13-20-14(18)21-15(19)22(13)12-7-5-11(17)6-8-12/h1-8H,(H3,18,19,21)/p+1
InChIKeyWZXDIDNXKGZFTJ-UHFFFAOYSA-O
XLogP1.86
TPSA81.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine?
The IUPAC name of 1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine (CID 11659440) is 1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine.
What is the SMILES notation for 1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine?
The canonical SMILES for 1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine is Nc1nc(N)[n+](-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine?
The InChIKey is WZXDIDNXKGZFTJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H11F2N5/c16-10-3-1-9(2-4-10)13-20-14(18)21-15(19)22(13)12-7-5-11(17)6-8-12/h1-8H,(H3,18,19,21)/p+1.
What are the key properties of 1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine?
1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine has a molecular weight of 300.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-fluorophenyl)-1,3,5-triazin-1-ium-2,4-diamine is sourced from PubChem (CID 11659440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).