2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine

C10F17N3 — CID 172836011

IUPAC2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine
SMILESFc1nc(F)nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10F17N3/c11-2-28-1(29-3(12)30-2)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27
InChIKeyWDUPDOFVCJRJLX-UHFFFAOYSA-N
MW485.10 g/mol
LogP4.98
Rot. Bonds6

About 2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine

2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine (PubChem CID 172836011) has the molecular formula C10F17N3 and a molecular weight of 485.10 g/mol. Its IUPAC name is 2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine
PubChem CID172836011
Molecular FormulaC10F17N3
Molecular Weight485.10 g/mol
Exact Mass484.98
IUPAC Name2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine
SMILESFc1nc(F)nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10F17N3/c11-2-28-1(29-3(12)30-2)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27
InChIKeyWDUPDOFVCJRJLX-UHFFFAOYSA-N
XLogP4.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.10
LogP ≤ 54.98
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(heptafluoropropyl)-1,3,5-triazine
CID 70185
2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine
CID 70072
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(undecafluoropentyl)-1,3,5-triazine
CID 13783171
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
2,4,6-Tris(tridecafluorohexyl)-1,3,5-triazine
CID 12568336
6-(4,4,5,5,6,6,7,7,7-Nonafluoroheptyl)-1,3,5-triazine-2,4-diamine
CID 14512656
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoroheptyl)-1,3,5-triazine
CID 18974137
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Nonadecafluorononyl)-1,3,5-triazine
CID 54536139

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine?
The IUPAC name of 2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine (CID 172836011) is 2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine?
The canonical SMILES for 2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine is Fc1nc(F)nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine?
The InChIKey is WDUPDOFVCJRJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F17N3/c11-2-28-1(29-3(12)30-2)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27.
What are the key properties of 2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine?
2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine has a molecular weight of 485.10 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine is sourced from PubChem (CID 172836011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).