2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine

C15F27N3 — CID 549799

IUPAC2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine
SMILESFC(F)(F)C(c1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15F27N3/c16-7(17,18)4(8(19,20)21,9(22,23)24)1-43-2(5(10(25,26)27,11(28,29)30)12(31,32)33)45-3(44-1)6(13(34,35)36,14(37,38)39)15(40,41)42
InChIKeyCCERBUFIEPUFIV-UHFFFAOYSA-N
MW735.13 g/mol
LogP8.65
Rot. Bonds3

About 2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine

2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine (PubChem CID 549799) has the molecular formula C15F27N3 and a molecular weight of 735.13 g/mol. Its IUPAC name is 2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine
PubChem CID549799
Molecular FormulaC15F27N3
Molecular Weight735.13 g/mol
Exact Mass734.97
IUPAC Name2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine
SMILESFC(F)(F)C(c1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15F27N3/c16-7(17,18)4(8(19,20)21,9(22,23)24)1-43-2(5(10(25,26)27,11(28,29)30)12(31,32)33)45-3(44-1)6(13(34,35)36,14(37,38)39)15(40,41)42
InChIKeyCCERBUFIEPUFIV-UHFFFAOYSA-N
XLogP8.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.13
LogP ≤ 58.65
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
2,4,6-Tris(undecafluoropentyl)-1,3,5-triazine
CID 13783171
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-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
CID 15522403
1,3,5-Triazine, 2-chloro-4,6-bis(nonafluoro-tert-butyl)-
CID 635941
1,3,5-Triazine, 2-amino-4,6-bis(nonafluoro-tert-butyl)-
CID 549779
2,4-Difluoro-6-(trifluoromethyl)-S-triazine
CID 9713
2-Fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 12859
1,3,5-Triazine, 2,4,6-tris(1,1,2,2-tetrafluoro-2-iodoethyl)-
CID 12119971

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine (CID 549799) is 2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine is FC(F)(F)C(c1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine?
The InChIKey is CCERBUFIEPUFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15F27N3/c16-7(17,18)4(8(19,20)21,9(22,23)24)1-43-2(5(10(25,26)27,11(28,29)30)12(31,32)33)45-3(44-1)6(13(34,35)36,14(37,38)39)15(40,41)42.
What are the key properties of 2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine?
2,4,6-tris[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine has a molecular weight of 735.13 g/mol, XLogP of 8.65, 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[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazine is sourced from PubChem (CID 549799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).