6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene

C13H13F13O4 — CID 18359612

IUPAC6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene
SMILESC=CCCCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C13H13F13O4/c1-2-3-4-5-6-27-7-8(14,15)28-9(16,17)10(18,19)29-11(20,21)12(22,23)30-13(24,25)26/h2H,1,3-7H2
InChIKeyZEPDFNLAFUSFDF-UHFFFAOYSA-N
MW480.22 g/mol
LogP5.89
Rot. Bonds14

About 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene

6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene (PubChem CID 18359612) has the molecular formula C13H13F13O4 and a molecular weight of 480.22 g/mol. Its IUPAC name is 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene.

Molecular Properties

Compound Name6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene
PubChem CID18359612
Molecular FormulaC13H13F13O4
Molecular Weight480.22 g/mol
Exact Mass480.06
IUPAC Name6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene
SMILESC=CCCCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C13H13F13O4/c1-2-3-4-5-6-27-7-8(14,15)28-9(16,17)10(18,19)29-11(20,21)12(22,23)30-13(24,25)26/h2H,1,3-7H2
InChIKeyZEPDFNLAFUSFDF-UHFFFAOYSA-N
XLogP5.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.22
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene?
The IUPAC name of 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene (CID 18359612) is 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene.
What is the SMILES notation for 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene?
The canonical SMILES for 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene is C=CCCCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene?
The InChIKey is ZEPDFNLAFUSFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F13O4/c1-2-3-4-5-6-27-7-8(14,15)28-9(16,17)10(18,19)29-11(20,21)12(22,23)30-13(24,25)26/h2H,1,3-7H2.
What are the key properties of 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene?
6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene has a molecular weight of 480.22 g/mol, XLogP of 5.89, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]hex-1-ene is sourced from PubChem (CID 18359612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).