8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane

C10H5F15O — CID 58825817

IUPAC8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane
SMILESC=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5F15O/c1-2-26-3-4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H,1,3H2
InChIKeyKXPYTMPPWPUFMQ-UHFFFAOYSA-N
MW426.12 g/mol
LogP5.52
Rot. Bonds8

About 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane

8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane (PubChem CID 58825817) has the molecular formula C10H5F15O and a molecular weight of 426.12 g/mol. Its IUPAC name is 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane.

Molecular Properties

Compound Name8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane
PubChem CID58825817
Molecular FormulaC10H5F15O
Molecular Weight426.12 g/mol
Exact Mass426.01
IUPAC Name8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane
SMILESC=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5F15O/c1-2-26-3-4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H,1,3H2
InChIKeyKXPYTMPPWPUFMQ-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.12
LogP ≤ 55.52
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 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane?
The IUPAC name of 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane (CID 58825817) is 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane.
What is the SMILES notation for 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane?
The canonical SMILES for 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane is C=COCC(F)(F)C(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-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane?
The InChIKey is KXPYTMPPWPUFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F15O/c1-2-26-3-4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H,1,3H2.
What are the key properties of 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane?
8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane has a molecular weight of 426.12 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane is sourced from PubChem (CID 58825817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).