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

C11H3F14N3 — CID 154352199

IUPAC2-ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine
SMILESC=Cc1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C11H3F14N3/c1-2-3-26-4(6(12,13)8(16,17)10(20,21)22)28-5(27-3)7(14,15)9(18,19)11(23,24)25/h2H,1H2
InChIKeyTXLLAQUUGAGDNP-UHFFFAOYSA-N
MW443.14 g/mol
LogP5.09
Rot. Bonds5

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

2-ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine (PubChem CID 154352199) has the molecular formula C11H3F14N3 and a molecular weight of 443.14 g/mol. Its IUPAC name is 2-ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine
PubChem CID154352199
Molecular FormulaC11H3F14N3
Molecular Weight443.14 g/mol
Exact Mass443.01
IUPAC Name2-ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine
SMILESC=Cc1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C11H3F14N3/c1-2-3-26-4(6(12,13)8(16,17)10(20,21)22)28-5(27-3)7(14,15)9(18,19)11(23,24)25/h2H,1H2
InChIKeyTXLLAQUUGAGDNP-UHFFFAOYSA-N
XLogP5.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.14
LogP ≤ 55.09
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-ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine?
The IUPAC name of 2-ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine (CID 154352199) is 2-ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine.
What is the SMILES notation for 2-ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine?
The canonical SMILES for 2-ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine is C=Cc1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine?
The InChIKey is TXLLAQUUGAGDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F14N3/c1-2-3-26-4(6(12,13)8(16,17)10(20,21)22)28-5(27-3)7(14,15)9(18,19)11(23,24)25/h2H,1H2.
What are the key properties of 2-ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine?
2-ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine has a molecular weight of 443.14 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine is sourced from PubChem (CID 154352199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).