1-(trifluoromethyl)-1,3,5-triazin-1-ium

C4H3F3N3+ — CID 22718958

IUPAC1-(trifluoromethyl)-1,3,5-triazin-1-ium
SMILESFC(F)(F)[n+]1cncnc1
InChIInChI=1S/C4H3F3N3/c5-4(6,7)10-2-8-1-9-3-10/h1-3H/q+1
InChIKeyZCEVKOVRKLOBIL-UHFFFAOYSA-N
MW150.08 g/mol
LogP0.24
Rot. Bonds

About 1-(trifluoromethyl)-1,3,5-triazin-1-ium

1-(trifluoromethyl)-1,3,5-triazin-1-ium (PubChem CID 22718958) has the molecular formula C4H3F3N3+ and a molecular weight of 150.08 g/mol. Its IUPAC name is 1-(trifluoromethyl)-1,3,5-triazin-1-ium.

Molecular Properties

Compound Name1-(trifluoromethyl)-1,3,5-triazin-1-ium
PubChem CID22718958
Molecular FormulaC4H3F3N3+
Molecular Weight150.08 g/mol
Exact Mass150.03
IUPAC Name1-(trifluoromethyl)-1,3,5-triazin-1-ium
SMILESFC(F)(F)[n+]1cncnc1
InChIInChI=1S/C4H3F3N3/c5-4(6,7)10-2-8-1-9-3-10/h1-3H/q+1
InChIKeyZCEVKOVRKLOBIL-UHFFFAOYSA-N
XLogP0.24
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.08
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-Difluoro-1,3,5-triazine
CID 20062980
2-Fluoro-1,3,5-triazine
CID 21219660
2-Trifluoro-methoxy-1,3,5-triazine
CID 21749684
4-fluoro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 17935545
2-Fluoro-4-(trifluoromethoxy)-1,3,5-triazine
CID 19104342
2-(Difluoromethoxy)-1,3,5-triazine
CID 70378207
1,1,1,2,2,2-Hexafluoroethane;1,3,5-triazine
CID 158548573
1-Methyl-1,3,5-triazin-1-ium
CID 21689621
2-Fluoro-1,3,5-triazine;molecular fluorine
CID 141265768
Fluoromethane;1,3,5-triazine
CID 161487409
Bis(1,1,1,2,2,2-hexafluoroethane);1,3,5-triazine
CID 175187145
2,4-Difluoro-1,3,5-triazine-6-d
CID 172401743

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-1,3,5-triazin-1-ium?
The IUPAC name of 1-(trifluoromethyl)-1,3,5-triazin-1-ium (CID 22718958) is 1-(trifluoromethyl)-1,3,5-triazin-1-ium.
What is the SMILES notation for 1-(trifluoromethyl)-1,3,5-triazin-1-ium?
The canonical SMILES for 1-(trifluoromethyl)-1,3,5-triazin-1-ium is FC(F)(F)[n+]1cncnc1.
What is the InChIKey of 1-(trifluoromethyl)-1,3,5-triazin-1-ium?
The InChIKey is ZCEVKOVRKLOBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N3/c5-4(6,7)10-2-8-1-9-3-10/h1-3H/q+1.
What are the key properties of 1-(trifluoromethyl)-1,3,5-triazin-1-ium?
1-(trifluoromethyl)-1,3,5-triazin-1-ium has a molecular weight of 150.08 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-1,3,5-triazin-1-ium is sourced from PubChem (CID 22718958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).