8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane

C10H7F13O — CID 14433679

IUPAC8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
SMILESC=COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F13O/c1-2-24-4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1,3-4H2
InChIKeyCJPSFIYLTINNQG-UHFFFAOYSA-N
MW390.14 g/mol
LogP5.28
Rot. Bonds8

About 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane

8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane (PubChem CID 14433679) has the molecular formula C10H7F13O and a molecular weight of 390.14 g/mol. Its IUPAC name is 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane.

Molecular Properties

Compound Name8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
PubChem CID14433679
Molecular FormulaC10H7F13O
Molecular Weight390.14 g/mol
Exact Mass390.03
IUPAC Name8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
SMILESC=COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F13O/c1-2-24-4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1,3-4H2
InChIKeyCJPSFIYLTINNQG-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 55.28
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 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane?
The IUPAC name of 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane (CID 14433679) is 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane.
What is the SMILES notation for 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane?
The canonical SMILES for 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane is C=COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane?
The InChIKey is CJPSFIYLTINNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F13O/c1-2-24-4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1,3-4H2.
What are the key properties of 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane?
8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane has a molecular weight of 390.14 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane is sourced from PubChem (CID 14433679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).