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

C11H11F6N3O3 — CID 163878982

IUPAC2-but-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESC=CCCOc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C11H11F6N3O3/c1-2-3-4-21-7-18-8(22-5-10(12,13)14)20-9(19-7)23-6-11(15,16)17/h2H,1,3-6H2
InChIKeyPRKSSXBOPHUDKW-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.71
Rot. Bonds8

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

2-but-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 163878982) has the molecular formula C11H11F6N3O3 and a molecular weight of 347.22 g/mol. Its IUPAC name is 2-but-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-but-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID163878982
Molecular FormulaC11H11F6N3O3
Molecular Weight347.22 g/mol
Exact Mass347.07
IUPAC Name2-but-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESC=CCCOc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C11H11F6N3O3/c1-2-3-4-21-7-18-8(22-5-10(12,13)14)20-9(19-7)23-6-11(15,16)17/h2H,1,3-6H2
InChIKeyPRKSSXBOPHUDKW-UHFFFAOYSA-N
XLogP2.71
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-Prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 58813229
2,4-Bis(2,2,3,3,4,4,4-heptafluorobutoxy)-6-prop-2-enoxy-1,3,5-triazine
CID 89380978
2,4,6-Tris(but-3-enoxy)-1,3,5-triazine
CID 142394350
2-But-3-enoxy-4-chloro-6-ethoxy-1,3,5-triazine
CID 62857369
2-But-3-enoxy-4-chloro-6-methoxy-1,3,5-triazine
CID 62858806
2-But-3-enoxy-4-chloro-6-propoxy-1,3,5-triazine
CID 62869271

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-but-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 163878982) is 2-but-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-but-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-but-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine is C=CCCOc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1.
What is the InChIKey of 2-but-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is PRKSSXBOPHUDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N3O3/c1-2-3-4-21-7-18-8(22-5-10(12,13)14)20-9(19-7)23-6-11(15,16)17/h2H,1,3-6H2.
What are the key properties of 2-but-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-but-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 347.22 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 163878982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).