2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine

C7H4F5N3 — CID 154312253

IUPAC2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
SMILESC=Cc1ncnc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7H4F5N3/c1-2-4-13-3-14-5(15-4)6(8,9)7(10,11)12/h2-3H,1H2
InChIKeyDWVMMTIMOQTHQF-UHFFFAOYSA-N
MW225.12 g/mol
LogP2.17
Rot. Bonds2

About 2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine

2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine (PubChem CID 154312253) has the molecular formula C7H4F5N3 and a molecular weight of 225.12 g/mol. Its IUPAC name is 2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
PubChem CID154312253
Molecular FormulaC7H4F5N3
Molecular Weight225.12 g/mol
Exact Mass225.03
IUPAC Name2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
SMILESC=Cc1ncnc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7H4F5N3/c1-2-4-13-3-14-5(15-4)6(8,9)7(10,11)12/h2-3H,1H2
InChIKeyDWVMMTIMOQTHQF-UHFFFAOYSA-N
XLogP2.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 52.17
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-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The IUPAC name of 2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine (CID 154312253) is 2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine.
What is the SMILES notation for 2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The canonical SMILES for 2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine is C=Cc1ncnc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The InChIKey is DWVMMTIMOQTHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5N3/c1-2-4-13-3-14-5(15-4)6(8,9)7(10,11)12/h2-3H,1H2.
What are the key properties of 2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine has a molecular weight of 225.12 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine is sourced from PubChem (CID 154312253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).