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

C24H9F30N3 — CID 10865880

IUPAC2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C)nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C)n1
InChIInChI=1S/C24H9F30N3/c1-4-10(25,26)16(37,38)22(49,50)19(43,44)13(31,32)7-55-8(14(33,34)20(45,46)23(51,52)17(39,40)11(27,28)5-2)57-9(56-7)15(35,36)21(47,48)24(53,54)18(41,42)12(29,30)6-3/h4-6H,1-3H2
InChIKeyJHYNNUDQVQQVFI-UHFFFAOYSA-N
MW909.30 g/mol
LogP11.33
Rot. Bonds18

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

2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine (PubChem CID 10865880) has the molecular formula C24H9F30N3 and a molecular weight of 909.30 g/mol. Its IUPAC name is 2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine
PubChem CID10865880
Molecular FormulaC24H9F30N3
Molecular Weight909.30 g/mol
Exact Mass909.03
IUPAC Name2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C)nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C)n1
InChIInChI=1S/C24H9F30N3/c1-4-10(25,26)16(37,38)22(49,50)19(43,44)13(31,32)7-55-8(14(33,34)20(45,46)23(51,52)17(39,40)11(27,28)5-2)57-9(56-7)15(35,36)21(47,48)24(53,54)18(41,42)12(29,30)6-3/h4-6H,1-3H2
InChIKeyJHYNNUDQVQQVFI-UHFFFAOYSA-N
XLogP11.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.30
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine (CID 10865880) is 2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine is C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C)nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C)n1.
What is the InChIKey of 2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine?
The InChIKey is JHYNNUDQVQQVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H9F30N3/c1-4-10(25,26)16(37,38)22(49,50)19(43,44)13(31,32)7-55-8(14(33,34)20(45,46)23(51,52)17(39,40)11(27,28)5-2)57-9(56-7)15(35,36)21(47,48)24(53,54)18(41,42)12(29,30)6-3/h4-6H,1-3H2.
What are the key properties of 2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine?
2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine has a molecular weight of 909.30 g/mol, XLogP of 11.33, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine is sourced from PubChem (CID 10865880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).