10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane

C12H13F11O — CID 121480385

IUPAC10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane
SMILESC=COCC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C12H13F11O/c1-2-24-7-11(19,20)10(17,18)4-3-8(13,14)9(15,16)5-6-12(21,22)23/h2H,1,3-7H2
InChIKeyZSHRTPWQCRGUIR-UHFFFAOYSA-N
MW382.21 g/mol
LogP5.81
Rot. Bonds10

About 10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane

10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane (PubChem CID 121480385) has the molecular formula C12H13F11O and a molecular weight of 382.21 g/mol. Its IUPAC name is 10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane.

Molecular Properties

Compound Name10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane
PubChem CID121480385
Molecular FormulaC12H13F11O
Molecular Weight382.21 g/mol
Exact Mass382.08
IUPAC Name10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane
SMILESC=COCC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C12H13F11O/c1-2-24-7-11(19,20)10(17,18)4-3-8(13,14)9(15,16)5-6-12(21,22)23/h2H,1,3-7H2
InChIKeyZSHRTPWQCRGUIR-UHFFFAOYSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.21
LogP ≤ 55.81
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 10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane?
The IUPAC name of 10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane (CID 121480385) is 10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane.
What is the SMILES notation for 10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane?
The canonical SMILES for 10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane is C=COCC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)CCC(F)(F)F.
What is the InChIKey of 10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane?
The InChIKey is ZSHRTPWQCRGUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F11O/c1-2-24-7-11(19,20)10(17,18)4-3-8(13,14)9(15,16)5-6-12(21,22)23/h2H,1,3-7H2.
What are the key properties of 10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane?
10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane has a molecular weight of 382.21 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenoxy-1,1,1,4,4,5,5,8,8,9,9-undecafluorodecane is sourced from PubChem (CID 121480385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).