2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine

C10H9F6N3O3 — CID 58813229

IUPAC2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESC=CCOc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C10H9F6N3O3/c1-2-3-20-6-17-7(21-4-9(11,12)13)19-8(18-6)22-5-10(14,15)16/h2H,1,3-5H2
InChIKeyXEEDUOZOFQOWCE-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.32
Rot. Bonds7

About 2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine

2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 58813229) has the molecular formula C10H9F6N3O3 and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID58813229
Molecular FormulaC10H9F6N3O3
Molecular Weight333.19 g/mol
Exact Mass333.05
IUPAC Name2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESC=CCOc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C10H9F6N3O3/c1-2-3-20-6-17-7(21-4-9(11,12)13)19-8(18-6)22-5-10(14,15)16/h2H,1,3-5H2
InChIKeyXEEDUOZOFQOWCE-UHFFFAOYSA-N
XLogP2.32
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Triallyl cyanurate
CID 7555
2,4-Bis(allyloxy)-6-chloro-1,3,5-triazine
CID 84514
2,4-Diallyloxy-6-amino-1,3,5-triazine
CID 35028
2,4-Dimethoxy-6-allyloxy-sym-triazine
CID 13141333
4,6-Bis(allyloxy)-2-methoxy-1,3,5-triazine
CID 6452248
4-[Chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 19777638
4-Prop-2-enoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19777652
2,4-Bis(prop-2-enoxy)-6-prop-2-ynoxy-1,3,5-triazine
CID 20188882
2-(2,2,3,3,4,4,4-Heptafluorobutoxy)-4-prop-2-enoxy-6-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine
CID 58813220
2,4-Bis(2,2,3,3,4,4,4-heptafluorobutoxy)-6-prop-2-enoxy-1,3,5-triazine
CID 89380978
2-Chloro-4-fluoro-6-prop-2-enoxy-1,3,5-triazine
CID 141655647
2-But-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 163878982

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 58813229) is 2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine is C=CCOc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1.
What is the InChIKey of 2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is XEEDUOZOFQOWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6N3O3/c1-2-3-20-6-17-7(21-4-9(11,12)13)19-8(18-6)22-5-10(14,15)16/h2H,1,3-5H2.
What are the key properties of 2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 333.19 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 58813229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).