1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene

C6H4F6O3 — CID 87169345

IUPAC1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene
SMILESC=C(OC(=C)OC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C6H4F6O3/c1-3(14-5(7,8)9)13-4(2)15-6(10,11)12/h1-2H2
InChIKeyZVRSBJLZKNBICK-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.02
Rot. Bonds4

About 1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene

1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene (PubChem CID 87169345) has the molecular formula C6H4F6O3 and a molecular weight of 238.08 g/mol. Its IUPAC name is 1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene.

Molecular Properties

Compound Name1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene
PubChem CID87169345
Molecular FormulaC6H4F6O3
Molecular Weight238.08 g/mol
Exact Mass238.01
IUPAC Name1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene
SMILESC=C(OC(=C)OC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C6H4F6O3/c1-3(14-5(7,8)9)13-4(2)15-6(10,11)12/h1-2H2
InChIKeyZVRSBJLZKNBICK-UHFFFAOYSA-N
XLogP3.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene?
The IUPAC name of 1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene (CID 87169345) is 1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene.
What is the SMILES notation for 1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene?
The canonical SMILES for 1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene is C=C(OC(=C)OC(F)(F)F)OC(F)(F)F.
What is the InChIKey of 1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene?
The InChIKey is ZVRSBJLZKNBICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6O3/c1-3(14-5(7,8)9)13-4(2)15-6(10,11)12/h1-2H2.
What are the key properties of 1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene?
1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene has a molecular weight of 238.08 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)-1-[1-(trifluoromethoxy)ethenoxy]ethene is sourced from PubChem (CID 87169345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).