(Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one

C11H13F7O2 — CID 59927458

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

About (Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one

(Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one (PubChem CID 59927458) has the molecular formula C11H13F7O2 and a molecular weight of 310.21 g/mol. Its IUPAC name is (Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one.

Molecular Properties

Compound Name(Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one
PubChem CID59927458
Molecular FormulaC11H13F7O2
Molecular Weight310.21 g/mol
Exact Mass310.08
IUPAC Name(Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one
SMILESCO/C(=C\C(=O)C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F7O2/c1-8(2,3)6(19)5-7(20-4)9(12,13)10(14,15)11(16,17)18/h5H,1-4H3/b7-5-
InChIKeyWFJDVYFEWBHXKR-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

tris[[(Z)-8,8,8-trideuterio-1,1,1,2,2,3,3-heptafluoro-6-oxo-7,7-bis(trideuteriomethyl)oct-4-en-4-yl]oxy]praseodymium
CID 137242863
3,3-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone
CID 15312547
4,4-Bis(trifluoromethyl)-3-[(trimethylgermyl)oxy]cyclobut-2-en-1-one
CID 16697580
europium;[(Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-ylidene]oxidanium
CID 59927457
(Z)-1,1,1,2,2,3,3-heptafluoro-6-methoxy-7,7-dimethyloct-5-en-4-one
CID 89194418
6,6,6-Trifluoro-5-methoxy-2,2-dimethylhex-4-en-3-one
CID 123365984
[(Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-yl]-methylideneoxidanium
CID 136017757
[(Z)-1,1,1-trifluoro-5,5-dimethyl-4-oxohex-2-en-2-yl] hypofluorite
CID 144143360
(Z)-7,7,7-trifluoro-5-methoxy-2,6,6-trimethylhept-4-en-3-one
CID 156216072
(Z)-3,7-diethyl-6-methoxy-3,7-bis(trifluoromethyl)non-5-en-4-one
CID 156227344
(Z)-1,1,1,5-tetrafluoro-4-methoxy-5-methylhex-3-en-2-one
CID 156227399
(Z)-1,1,1,7,7,7-hexafluoro-5-methoxy-2,2,6,6-tetramethylhept-4-en-3-one
CID 156268107

Frequently Asked Questions

What is the IUPAC name of (Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one?
The IUPAC name of (Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one (CID 59927458) is (Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one.
What is the SMILES notation for (Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one?
The canonical SMILES for (Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one is CO/C(=C\C(=O)C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one?
The InChIKey is WFJDVYFEWBHXKR-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H13F7O2/c1-8(2,3)6(19)5-7(20-4)9(12,13)10(14,15)11(16,17)18/h5H,1-4H3/b7-5-.
What are the key properties of (Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one?
(Z)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-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)-6,6,7,7,8,8,8-heptafluoro-5-methoxy-2,2-dimethyloct-4-en-3-one is sourced from PubChem (CID 59927458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).