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

C9F9N3 — CID 129313140

IUPAC2,4,6-tris(1,2,2-trifluoroethenyl)-1,3,5-triazine
SMILESFC(F)=C(F)c1nc(C(F)=C(F)F)nc(C(F)=C(F)F)n1
InChIInChI=1S/C9F9N3/c10-1(4(13)14)7-19-8(2(11)5(15)16)21-9(20-7)3(12)6(17)18
InChIKeyYKYMKWSNQAPTTO-UHFFFAOYSA-N
MW321.10 g/mol
LogP4.48
Rot. Bonds3

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

2,4,6-tris(1,2,2-trifluoroethenyl)-1,3,5-triazine (PubChem CID 129313140) has the molecular formula C9F9N3 and a molecular weight of 321.10 g/mol. Its IUPAC name is 2,4,6-tris(1,2,2-trifluoroethenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(1,2,2-trifluoroethenyl)-1,3,5-triazine
PubChem CID129313140
Molecular FormulaC9F9N3
Molecular Weight321.10 g/mol
Exact Mass320.99
IUPAC Name2,4,6-tris(1,2,2-trifluoroethenyl)-1,3,5-triazine
SMILESFC(F)=C(F)c1nc(C(F)=C(F)F)nc(C(F)=C(F)F)n1
InChIInChI=1S/C9F9N3/c10-1(4(13)14)7-19-8(2(11)5(15)16)21-9(20-7)3(12)6(17)18
InChIKeyYKYMKWSNQAPTTO-UHFFFAOYSA-N
XLogP4.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.10
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine
CID 70185
2,4,6-Tris(trifluoromethyl)-1,3,5-triazine
CID 9715
2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine
CID 70072
2,4,6-Tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
CID 11028301
2-Fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
CID 15522404
2,4-Difluoro-6-(trifluoromethyl)-S-triazine
CID 9713
2-Fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 12859
1-Fluoro-2,4,6-tris(trifluoromethyl)-1,3,5-triazin-1-ium
CID 17827062
1,4-Difluoro-2,6-bis(trifluoromethyl)-1,3,5-triazin-1-ium
CID 140431924
2-Ethenyl-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 154133260
2,4-Difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine
CID 23233261
2-Fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
CID 23233407

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(1,2,2-trifluoroethenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(1,2,2-trifluoroethenyl)-1,3,5-triazine (CID 129313140) is 2,4,6-tris(1,2,2-trifluoroethenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(1,2,2-trifluoroethenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(1,2,2-trifluoroethenyl)-1,3,5-triazine is FC(F)=C(F)c1nc(C(F)=C(F)F)nc(C(F)=C(F)F)n1.
What is the InChIKey of 2,4,6-tris(1,2,2-trifluoroethenyl)-1,3,5-triazine?
The InChIKey is YKYMKWSNQAPTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F9N3/c10-1(4(13)14)7-19-8(2(11)5(15)16)21-9(20-7)3(12)6(17)18.
What are the key properties of 2,4,6-tris(1,2,2-trifluoroethenyl)-1,3,5-triazine?
2,4,6-tris(1,2,2-trifluoroethenyl)-1,3,5-triazine has a molecular weight of 321.10 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(1,2,2-trifluoroethenyl)-1,3,5-triazine is sourced from PubChem (CID 129313140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).