4-ethenoxy-1,1,2,2-tetrafluorobutane

C6H8F4O — CID 23236926

IUPAC4-ethenoxy-1,1,2,2-tetrafluorobutane
SMILESC=COCCC(F)(F)C(F)F
InChIInChI=1S/C6H8F4O/c1-2-11-4-3-6(9,10)5(7)8/h2,5H,1,3-4H2
InChIKeyIJSRNLNUZBNBRM-UHFFFAOYSA-N
MW172.12 g/mol
LogP2.44
Rot. Bonds5

About 4-ethenoxy-1,1,2,2-tetrafluorobutane

4-ethenoxy-1,1,2,2-tetrafluorobutane (PubChem CID 23236926) has the molecular formula C6H8F4O and a molecular weight of 172.12 g/mol. Its IUPAC name is 4-ethenoxy-1,1,2,2-tetrafluorobutane.

Molecular Properties

Compound Name4-ethenoxy-1,1,2,2-tetrafluorobutane
PubChem CID23236926
Molecular FormulaC6H8F4O
Molecular Weight172.12 g/mol
Exact Mass172.05
IUPAC Name4-ethenoxy-1,1,2,2-tetrafluorobutane
SMILESC=COCCC(F)(F)C(F)F
InChIInChI=1S/C6H8F4O/c1-2-11-4-3-6(9,10)5(7)8/h2,5H,1,3-4H2
InChIKeyIJSRNLNUZBNBRM-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-1,1,2,2-tetrafluorobutane?
The IUPAC name of 4-ethenoxy-1,1,2,2-tetrafluorobutane (CID 23236926) is 4-ethenoxy-1,1,2,2-tetrafluorobutane.
What is the SMILES notation for 4-ethenoxy-1,1,2,2-tetrafluorobutane?
The canonical SMILES for 4-ethenoxy-1,1,2,2-tetrafluorobutane is C=COCCC(F)(F)C(F)F.
What is the InChIKey of 4-ethenoxy-1,1,2,2-tetrafluorobutane?
The InChIKey is IJSRNLNUZBNBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O/c1-2-11-4-3-6(9,10)5(7)8/h2,5H,1,3-4H2.
What are the key properties of 4-ethenoxy-1,1,2,2-tetrafluorobutane?
4-ethenoxy-1,1,2,2-tetrafluorobutane has a molecular weight of 172.12 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-1,1,2,2-tetrafluorobutane is sourced from PubChem (CID 23236926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).