(Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one

C11H13F7O2 — CID 89194418

IUPAC(Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one
SMILESCO/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H13F7O2/c1-8(2,3)7(20-4)5-6(19)9(12,13)10(14,15)11(16,17)18/h5H,1-4H3/b7-5-
InChIKeyLWKYVJYZLOEMCM-ALCCZGGFSA-N
MW310.21 g/mol
LogP3.96
Rot. Bonds4

About (Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one

(Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one (PubChem CID 89194418) has the molecular formula C11H13F7O2 and a molecular weight of 310.21 g/mol. Its IUPAC name is (Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one.

Molecular Properties

Compound Name(Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one
PubChem CID89194418
Molecular FormulaC11H13F7O2
Molecular Weight310.21 g/mol
Exact Mass310.08
IUPAC Name(Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one
SMILESCO/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H13F7O2/c1-8(2,3)7(20-4)5-6(19)9(12,13)10(14,15)11(16,17)18/h5H,1-4H3/b7-5-
InChIKeyLWKYVJYZLOEMCM-ALCCZGGFSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Europium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-kappaO3,kappaO5)-
CID 5488836
Erbium-fod
CID 131675366
Barium bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate)
CID 50911957
silver (Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate
CID 56846564
1,1,1,2,2,3,3-Heptafluoro-6-hydroxy-7,7-dimethyl-5-octene-4-one
CID 6858136
1,1,1,2,2,3,3-Heptafluoro-6-hydroxy-7,7-dimethyloct-5-en-4-one
CID 159825
Praseodymium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-kappaO3,kappaO5)-
CID 5489969
Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)ytterbium
CID 6510275
La(fod)3
CID 15259245
Copper(2+) bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate)
CID 53395458
Calcium (3E)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate (3Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate (1/1/1)
CID 138395370
dysprosium(3+);tris((Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate)
CID 73995065

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one?
The IUPAC name of (Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one (CID 89194418) is (Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one.
What is the SMILES notation for (Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one?
The canonical SMILES for (Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one is CO/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C.
What is the InChIKey of (Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one?
The InChIKey is LWKYVJYZLOEMCM-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H13F7O2/c1-8(2,3)7(20-4)5-6(19)9(12,13)10(14,15)11(16,17)18/h5H,1-4H3/b7-5-.
What are the key properties of (Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one?
(Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one has a molecular weight of 310.21 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one is sourced from PubChem (CID 89194418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).