1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene

C5H4F4O — CID 71334335

IUPAC1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene
SMILESC=C=COC(F)(F)C(F)F
InChIInChI=1S/C5H4F4O/c1-2-3-10-5(8,9)4(6)7/h3-4H,1H2
InChIKeyQSXACVJYADBRCG-UHFFFAOYSA-N
MW156.08 g/mol
LogP2.16
Rot. Bonds3

About 1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene

1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene (PubChem CID 71334335) has the molecular formula C5H4F4O and a molecular weight of 156.08 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene
PubChem CID71334335
Molecular FormulaC5H4F4O
Molecular Weight156.08 g/mol
Exact Mass156.02
IUPAC Name1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene
SMILESC=C=COC(F)(F)C(F)F
InChIInChI=1S/C5H4F4O/c1-2-3-10-5(8,9)4(6)7/h3-4H,1H2
InChIKeyQSXACVJYADBRCG-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.08
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene?
The IUPAC name of 1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene (CID 71334335) is 1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene?
The canonical SMILES for 1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene is C=C=COC(F)(F)C(F)F.
What is the InChIKey of 1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene?
The InChIKey is QSXACVJYADBRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4O/c1-2-3-10-5(8,9)4(6)7/h3-4H,1H2.
What are the key properties of 1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene?
1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene has a molecular weight of 156.08 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluoroethoxy)propa-1,2-diene is sourced from PubChem (CID 71334335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).