2,4,6-trifluoro-1,3,5-triazin-1-ium

C3HF3N3+ — CID 173438299

IUPAC2,4,6-trifluoro-1,3,5-triazin-1-ium
SMILESFc1nc(F)[nH+]c(F)n1
InChIInChI=1S/C3F3N3/c4-1-7-2(5)9-3(6)8-1/p+1
InChIKeyVMKJWLXVLHBJNK-UHFFFAOYSA-O
MW136.06 g/mol
LogP-0.29
Rot. Bonds

About 2,4,6-trifluoro-1,3,5-triazin-1-ium

2,4,6-trifluoro-1,3,5-triazin-1-ium (PubChem CID 173438299) has the molecular formula C3HF3N3+ and a molecular weight of 136.06 g/mol. Its IUPAC name is 2,4,6-trifluoro-1,3,5-triazin-1-ium.

Molecular Properties

Compound Name2,4,6-trifluoro-1,3,5-triazin-1-ium
PubChem CID173438299
Molecular FormulaC3HF3N3+
Molecular Weight136.06 g/mol
Exact Mass136.01
IUPAC Name2,4,6-trifluoro-1,3,5-triazin-1-ium
SMILESFc1nc(F)[nH+]c(F)n1
InChIInChI=1S/C3F3N3/c4-1-7-2(5)9-3(6)8-1/p+1
InChIKeyVMKJWLXVLHBJNK-UHFFFAOYSA-O
XLogP-0.29
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.06
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-1,3,5-triazin-1-ium?
The IUPAC name of 2,4,6-trifluoro-1,3,5-triazin-1-ium (CID 173438299) is 2,4,6-trifluoro-1,3,5-triazin-1-ium.
What is the SMILES notation for 2,4,6-trifluoro-1,3,5-triazin-1-ium?
The canonical SMILES for 2,4,6-trifluoro-1,3,5-triazin-1-ium is Fc1nc(F)[nH+]c(F)n1.
What is the InChIKey of 2,4,6-trifluoro-1,3,5-triazin-1-ium?
The InChIKey is VMKJWLXVLHBJNK-UHFFFAOYSA-O. The full InChI is InChI=1S/C3F3N3/c4-1-7-2(5)9-3(6)8-1/p+1.
What are the key properties of 2,4,6-trifluoro-1,3,5-triazin-1-ium?
2,4,6-trifluoro-1,3,5-triazin-1-ium has a molecular weight of 136.06 g/mol, XLogP of -0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-1,3,5-triazin-1-ium is sourced from PubChem (CID 173438299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).