2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine

C14H5F20N3O — CID 549853

IUPAC2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine
SMILESCCOc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C14H5F20N3O/c1-2-38-5-36-3(6(9(17,18)19,10(20,21)22)8(15,16)14(32,33)34)35-4(37-5)7(11(23,24)25,12(26,27)28)13(29,30)31/h2H2,1H3
InChIKeyPVICNKJOPFCVDJ-UHFFFAOYSA-N
MW611.17 g/mol
LogP6.76
Rot. Bonds5

About 2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine

2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine (PubChem CID 549853) has the molecular formula C14H5F20N3O and a molecular weight of 611.17 g/mol. Its IUPAC name is 2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine
PubChem CID549853
Molecular FormulaC14H5F20N3O
Molecular Weight611.17 g/mol
Exact Mass611.01
IUPAC Name2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine
SMILESCCOc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C14H5F20N3O/c1-2-38-5-36-3(6(9(17,18)19,10(20,21)22)8(15,16)14(32,33)34)35-4(37-5)7(11(23,24)25,12(26,27)28)13(29,30)31/h2H2,1H3
InChIKeyPVICNKJOPFCVDJ-UHFFFAOYSA-N
XLogP6.76
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.17
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine?
The IUPAC name of 2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine (CID 549853) is 2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine?
The canonical SMILES for 2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine is CCOc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine?
The InChIKey is PVICNKJOPFCVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5F20N3O/c1-2-38-5-36-3(6(9(17,18)19,10(20,21)22)8(15,16)14(32,33)34)35-4(37-5)7(11(23,24)25,12(26,27)28)13(29,30)31/h2H2,1H3.
What are the key properties of 2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine?
2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine has a molecular weight of 611.17 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazine is sourced from PubChem (CID 549853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).