2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine

C12F17N3 — CID 23233457

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine
SMILESFC(F)=C(F)C(F)(F)c1nc(C(F)(F)C(F)=C(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C12F17N3/c13-1(3(15)16)8(19,20)5-30-6(9(21,22)2(14)4(17)18)32-7(31-5)10(23,24)11(25,26)12(27,28)29
InChIKeyBQQGKHQVIOOZCQ-UHFFFAOYSA-N
MW509.12 g/mol
LogP6.50
Rot. Bonds6

About 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine

2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine (PubChem CID 23233457) has the molecular formula C12F17N3 and a molecular weight of 509.12 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine
PubChem CID23233457
Molecular FormulaC12F17N3
Molecular Weight509.12 g/mol
Exact Mass508.98
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine
SMILESFC(F)=C(F)C(F)(F)c1nc(C(F)(F)C(F)=C(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C12F17N3/c13-1(3(15)16)8(19,20)5-30-6(9(21,22)2(14)4(17)18)32-7(31-5)10(23,24)11(25,26)12(27,28)29
InChIKeyBQQGKHQVIOOZCQ-UHFFFAOYSA-N
XLogP6.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.12
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine (CID 23233457) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine is FC(F)=C(F)C(F)(F)c1nc(C(F)(F)C(F)=C(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine?
The InChIKey is BQQGKHQVIOOZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F17N3/c13-1(3(15)16)8(19,20)5-30-6(9(21,22)2(14)4(17)18)32-7(31-5)10(23,24)11(25,26)12(27,28)29.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine?
2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine has a molecular weight of 509.12 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine is sourced from PubChem (CID 23233457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).