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

C13H11F15O2 — CID 90992053

IUPAC8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene
SMILESC=COC.C=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.C3H6O/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;1-3-4-2/h2H,1,3H2;3H,1H2,2H3
InChIKeyGEBFTYQSLFFUKL-UHFFFAOYSA-N
MW484.20 g/mol
LogP6.30
Rot. Bonds9

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

8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene (PubChem CID 90992053) has the molecular formula C13H11F15O2 and a molecular weight of 484.20 g/mol. Its IUPAC name is 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene.

Molecular Properties

Compound Name8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene
PubChem CID90992053
Molecular FormulaC13H11F15O2
Molecular Weight484.20 g/mol
Exact Mass484.05
IUPAC Name8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene
SMILESC=COC.C=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.C3H6O/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;1-3-4-2/h2H,1,3H2;3H,1H2,2H3
InChIKeyGEBFTYQSLFFUKL-UHFFFAOYSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.20
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene with MolForge

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-9-(vinyloxy)nonane
CID 3018246
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-(vinyloxy)heptane
CID 3018796
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Icosafluoro-11-(vinyloxy)undecane
CID 3024059
11-Ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane
CID 10328523
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane
CID 78411284
Perfluorodecyl vinyl ether
CID 19765942
Perfluorooctyl vinyl ether
CID 54096250
1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane
CID 121408633
1-[(E)-2-fluoroethenoxy]dodecane
CID 121408637
1,1-Difluoro-2-dodecyloxyethene
CID 121408638
8-(2-Ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
CID 14433678
8-(Ethenyloxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
CID 14433679

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;methoxyethene?
The IUPAC name of 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene (CID 90992053) is 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene.
What is the SMILES notation for 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene?
The canonical SMILES for 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene is C=COC.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;methoxyethene?
The InChIKey is GEBFTYQSLFFUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F15O.C3H6O/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;1-3-4-2/h2H,1,3H2;3H,1H2,2H3.
What are the key properties of 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene?
8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene has a molecular weight of 484.20 g/mol, XLogP of 6.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 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;methoxyethene is sourced from PubChem (CID 90992053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).