8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane

C12H11F13O2 — CID 14433678

IUPAC8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
SMILESC=COCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H11F13O2/c1-2-26-5-6-27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h2H,1,3-6H2
InChIKeyDPUTXZZQMBBOAM-UHFFFAOYSA-N
MW434.19 g/mol
LogP5.29
Rot. Bonds11

About 8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane

8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane (PubChem CID 14433678) has the molecular formula C12H11F13O2 and a molecular weight of 434.19 g/mol. Its IUPAC name is 8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane.

Molecular Properties

Compound Name8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
PubChem CID14433678
Molecular FormulaC12H11F13O2
Molecular Weight434.19 g/mol
Exact Mass434.06
IUPAC Name8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
SMILESC=COCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H11F13O2/c1-2-26-5-6-27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h2H,1,3-6H2
InChIKeyDPUTXZZQMBBOAM-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.19
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-9-(vinyloxy)nonane
CID 3018246
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Icosafluoro-11-(vinyloxy)undecane
CID 3024059
5-[2-(Ethenyloxy)ethoxy]-1,1,1,2,2,3,3,4,4-nonafluoropentane
CID 71441089
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
8-(Ethenyloxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
CID 14433679
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecylvinyl ether
CID 19101877
10-Ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane
CID 19765940
8-Ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7-tetradecafluorooctane
CID 21981711
8-Ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane
CID 22670076
8-(2-Ethenoxyethoxy)-1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-2-(trifluoromethyl)octane
CID 58825812
5-(2-Ethenoxyethoxy)-1,1,2,2,3,3,4,4-octafluoropentane
CID 58825814
8-Ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane
CID 58825817

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane?
The IUPAC name of 8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane (CID 14433678) is 8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane.
What is the SMILES notation for 8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane?
The canonical SMILES for 8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane is C=COCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane?
The InChIKey is DPUTXZZQMBBOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F13O2/c1-2-26-5-6-27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h2H,1,3-6H2.
What are the key properties of 8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane?
8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane has a molecular weight of 434.19 g/mol, XLogP of 5.29, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethenoxyethoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane is sourced from PubChem (CID 14433678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).