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

C9H3F10N3 — CID 154214388

IUPAC2-ethenyl-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
SMILESC=Cc1nc(C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H3F10N3/c1-2-3-20-4(6(10,11)8(14,15)16)22-5(21-3)7(12,13)9(17,18)19/h2H,1H2
InChIKeyCOQPLLTZJZUBEX-UHFFFAOYSA-N
MW343.12 g/mol
LogP3.82
Rot. Bonds3

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

2-ethenyl-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine (PubChem CID 154214388) has the molecular formula C9H3F10N3 and a molecular weight of 343.12 g/mol. Its IUPAC name is 2-ethenyl-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-ethenyl-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
PubChem CID154214388
Molecular FormulaC9H3F10N3
Molecular Weight343.12 g/mol
Exact Mass343.02
IUPAC Name2-ethenyl-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
SMILESC=Cc1nc(C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H3F10N3/c1-2-3-20-4(6(10,11)8(14,15)16)22-5(21-3)7(12,13)9(17,18)19/h2H,1H2
InChIKeyCOQPLLTZJZUBEX-UHFFFAOYSA-N
XLogP3.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 53.82
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(1,1-difluoroprop-2-enyl)-1,3,5-triazine
CID 23226946
2-Ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
CID 54459890
2,4,6-Tris(1,2,2-trifluoroethenyl)-1,3,5-triazine
CID 129313140
2-Ethenyl-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 154133260
2-Fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine
CID 163490431
2,4,6-Tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine
CID 177370640
2,4,6-Tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine
CID 23247534
2-Ethenyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
CID 154312253
2-Ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine
CID 154352199
2-Ethenyl-4,6-diethyl-1,3,5-triazine
CID 35205

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The IUPAC name of 2-ethenyl-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine (CID 154214388) is 2-ethenyl-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine.
What is the SMILES notation for 2-ethenyl-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The canonical SMILES for 2-ethenyl-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine is C=Cc1nc(C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-ethenyl-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The InChIKey is COQPLLTZJZUBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F10N3/c1-2-3-20-4(6(10,11)8(14,15)16)22-5(21-3)7(12,13)9(17,18)19/h2H,1H2.
What are the key properties of 2-ethenyl-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
2-ethenyl-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine has a molecular weight of 343.12 g/mol, XLogP of 3.82, 3 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(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine is sourced from PubChem (CID 154214388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).