2,4,4,6-tetrafluoro-1H-1,3,5-triazine

C3HF4N3 — CID 45090596

IUPAC2,4,4,6-tetrafluoro-1H-1,3,5-triazine
SMILESFC1=NC(F)(F)N=C(F)N1
InChIInChI=1S/C3HF4N3/c4-1-8-2(5)10-3(6,7)9-1/h(H,8,9,10)
InChIKeyGCRAFKLRBYRTAH-UHFFFAOYSA-N
MW155.05 g/mol
LogP0.79
Rot. Bonds

About 2,4,4,6-tetrafluoro-1H-1,3,5-triazine

2,4,4,6-tetrafluoro-1H-1,3,5-triazine (PubChem CID 45090596) has the molecular formula C3HF4N3 and a molecular weight of 155.05 g/mol. Its IUPAC name is 2,4,4,6-tetrafluoro-1H-1,3,5-triazine.

Molecular Properties

Compound Name2,4,4,6-tetrafluoro-1H-1,3,5-triazine
PubChem CID45090596
Molecular FormulaC3HF4N3
Molecular Weight155.05 g/mol
Exact Mass155.01
IUPAC Name2,4,4,6-tetrafluoro-1H-1,3,5-triazine
SMILESFC1=NC(F)(F)N=C(F)N1
InChIInChI=1S/C3HF4N3/c4-1-8-2(5)10-3(6,7)9-1/h(H,8,9,10)
InChIKeyGCRAFKLRBYRTAH-UHFFFAOYSA-N
XLogP0.79
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.05
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(1Z,5Z)-1,2,3,3,4,4,5,6,7,7,8,8-dodecafluorocycloocta-1,5-diene;platinum
CID 87582607
2,2,3,3,4,4,5,5,6-nonafluoropyridine
CID 11021153
1,2,3,3,4,5,6,6-octafluorocyclohexa-1,4-diene
CID 12697770
2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine
CID 162536645
2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide
CID 89312231
1-(6,6-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-2-yl)ethanone
CID 18691499
1,2,3,3,4,4,5,5-octafluorocyclopentene
CID 11212
2,2-difluoroazetidine
CID 68750416
3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine
CID 88698110
1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene
CID 15573718
rutherfordium;2,2,3-trifluorocyclopropan-1-ol
CID 59685229
(1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorocyclodecene
CID 139346859

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6-tetrafluoro-1H-1,3,5-triazine?
The IUPAC name of 2,4,4,6-tetrafluoro-1H-1,3,5-triazine (CID 45090596) is 2,4,4,6-tetrafluoro-1H-1,3,5-triazine.
What is the SMILES notation for 2,4,4,6-tetrafluoro-1H-1,3,5-triazine?
The canonical SMILES for 2,4,4,6-tetrafluoro-1H-1,3,5-triazine is FC1=NC(F)(F)N=C(F)N1.
What is the InChIKey of 2,4,4,6-tetrafluoro-1H-1,3,5-triazine?
The InChIKey is GCRAFKLRBYRTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF4N3/c4-1-8-2(5)10-3(6,7)9-1/h(H,8,9,10).
What are the key properties of 2,4,4,6-tetrafluoro-1H-1,3,5-triazine?
2,4,4,6-tetrafluoro-1H-1,3,5-triazine has a molecular weight of 155.05 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6-tetrafluoro-1H-1,3,5-triazine is sourced from PubChem (CID 45090596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).