2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine

C12H2F19N3 — CID 54536139

IUPAC2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ncncn1
InChIInChI=1S/C12H2F19N3/c13-4(14,3-33-1-32-2-34-3)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)31/h1-2H
InChIKeyYZXCJSNGGJLTDN-UHFFFAOYSA-N
MW549.13 g/mol
LogP5.97
Rot. Bonds8

About 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine

2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine (PubChem CID 54536139) has the molecular formula C12H2F19N3 and a molecular weight of 549.13 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine
PubChem CID54536139
Molecular FormulaC12H2F19N3
Molecular Weight549.13 g/mol
Exact Mass548.99
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ncncn1
InChIInChI=1S/C12H2F19N3/c13-4(14,3-33-1-32-2-34-3)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)31/h1-2H
InChIKeyYZXCJSNGGJLTDN-UHFFFAOYSA-N
XLogP5.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.13
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine
CID 550641
2,4,6-Tris(nonadecafluorononyl)-1,3,5-triazine
CID 636356
2,4,6-Tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1,3,5-triazine
CID 10953348
Perfluorononyl-s-triazine
CID 129822003
2-[Perfluoroheptyl]-4,6-bis[trifluoromethyl]-1,3,5-triazine
CID 550577
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoroheptyl)-1,3,5-triazine
CID 18974137
2-(1,1,2,2,3,3,3-Heptafluoropropyl)-1,3,5-triazine
CID 23165623
2-(1,1,2,2-Tetrafluoroethyl)-1,3,5-triazine
CID 23165635
2-(1,2,2,2-Tetrafluoroethyl)-1,3,5-triazine
CID 70373306
2-(1,1,2,2,2-Pentafluoroethyl)-1,3,5-triazine
CID 89407196
2-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)-1,3,5-triazine
CID 139685064
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)-1,3,5-triazine
CID 140300479

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine (CID 54536139) is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ncncn1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine?
The InChIKey is YZXCJSNGGJLTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H2F19N3/c13-4(14,3-33-1-32-2-34-3)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)31/h1-2H.
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine?
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine has a molecular weight of 549.13 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-1,3,5-triazine is sourced from PubChem (CID 54536139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).