4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane

C6H5F7O — CID 19033536

IUPAC4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane
SMILESC=COCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F7O/c1-2-14-3-4(7,8)5(9,10)6(11,12)13/h2H,1,3H2
InChIKeyUDAAMHMYEJUEDJ-UHFFFAOYSA-N
MW226.09 g/mol
LogP2.98
Rot. Bonds4

About 4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane

4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane (PubChem CID 19033536) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is 4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane.

Molecular Properties

Compound Name4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane
PubChem CID19033536
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane
SMILESC=COCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F7O/c1-2-14-3-4(7,8)5(9,10)6(11,12)13/h2H,1,3H2
InChIKeyUDAAMHMYEJUEDJ-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 52.98
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 4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane?
The IUPAC name of 4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane (CID 19033536) is 4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane.
What is the SMILES notation for 4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane?
The canonical SMILES for 4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane is C=COCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane?
The InChIKey is UDAAMHMYEJUEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O/c1-2-14-3-4(7,8)5(9,10)6(11,12)13/h2H,1,3H2.
What are the key properties of 4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane?
4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane has a molecular weight of 226.09 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-1,1,1,2,2,3,3-heptafluorobutane is sourced from PubChem (CID 19033536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).