1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene

C10F18O — CID 171612885

About 1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene

1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene (PubChem CID 171612885) has the molecular formula C10F18O and a molecular weight of 478.07 g/mol. Its IUPAC name is 1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene.

Molecular Properties

• Compound Name: 1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene
• PubChem CID: 171612885
• Molecular Formula: C10F18O
• Molecular Weight: 478.07 g/mol
• Exact Mass: 477.97
• IUPAC Name: 1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene
• SMILES: FC(OC(F)=C(C(F)(F)F)C(F)(F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C10F18O/c11-3(1(7(17,18)19)5(13,14)9(23,24)25)29-4(12)2(8(20,21)22)6(15,16)10(26,27)28
• InChIKey: YVCITMKYEJKPEY-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.07
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene?

The IUPAC name of 1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene (CID 171612885) is 1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene.

What is the SMILES notation for 1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene?

The canonical SMILES for 1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene is FC(OC(F)=C(C(F)(F)F)C(F)(F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene?

The InChIKey is YVCITMKYEJKPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18O/c11-3(1(7(17,18)19)5(13,14)9(23,24)25)29-4(12)2(8(20,21)22)6(15,16)10(26,27)28.

What are the key properties of 1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene?

1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene has a molecular weight of 478.07 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 171612885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).