2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine

C12H3F12N3 — CID 177370640

IUPAC2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine
SMILESFC(F)=CC(F)(F)c1nc(C(F)(F)C=C(F)F)nc(C(F)(F)C=C(F)F)n1
InChIInChI=1S/C12H3F12N3/c13-4(14)1-10(19,20)7-25-8(11(21,22)2-5(15)16)27-9(26-7)12(23,24)3-6(17)18/h1-3H
InChIKeyWMJOKNNXUZNGNI-UHFFFAOYSA-N
MW417.15 g/mol
LogP5.49
Rot. Bonds6

About 2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine

2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine (PubChem CID 177370640) has the molecular formula C12H3F12N3 and a molecular weight of 417.15 g/mol. Its IUPAC name is 2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine
PubChem CID177370640
Molecular FormulaC12H3F12N3
Molecular Weight417.15 g/mol
Exact Mass417.01
IUPAC Name2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine
SMILESFC(F)=CC(F)(F)c1nc(C(F)(F)C=C(F)F)nc(C(F)(F)C=C(F)F)n1
InChIInChI=1S/C12H3F12N3/c13-4(14)1-10(19,20)7-25-8(11(21,22)2-5(15)16)27-9(26-7)12(23,24)3-6(17)18/h1-3H
InChIKeyWMJOKNNXUZNGNI-UHFFFAOYSA-N
XLogP5.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.15
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine (CID 177370640) is 2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine is FC(F)=CC(F)(F)c1nc(C(F)(F)C=C(F)F)nc(C(F)(F)C=C(F)F)n1.
What is the InChIKey of 2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine?
The InChIKey is WMJOKNNXUZNGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F12N3/c13-4(14)1-10(19,20)7-25-8(11(21,22)2-5(15)16)27-9(26-7)12(23,24)3-6(17)18/h1-3H.
What are the key properties of 2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine?
2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine has a molecular weight of 417.15 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine is sourced from PubChem (CID 177370640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).