6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane

C16H26AgF7O2P — CID 146157526

IUPAC6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane
SMILESCC(C)(C)C(=O)C=C(O)C(F)(F)C(F)(F)C(F)(F)F.CCP(CC)CC.[Ag]
InChIInChI=1S/C10H11F7O2.C6H15P.Ag/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;1-4-7(5-2)6-3;/h4,19H,1-3H3;4-6H2,1-3H3;
InChIKeySKYWZMHJSXPSEI-UHFFFAOYSA-N
MW522.21 g/mol
LogP6.40
Rot. Bonds6

About 6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane

6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane (PubChem CID 146157526) has the molecular formula C16H26AgF7O2P and a molecular weight of 522.21 g/mol. Its IUPAC name is 6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane.

Molecular Properties

Compound Name6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane
PubChem CID146157526
Molecular FormulaC16H26AgF7O2P
Molecular Weight522.21 g/mol
Exact Mass521.06
IUPAC Name6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane
SMILESCC(C)(C)C(=O)C=C(O)C(F)(F)C(F)(F)C(F)(F)F.CCP(CC)CC.[Ag]
InChIInChI=1S/C10H11F7O2.C6H15P.Ag/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;1-4-7(5-2)6-3;/h4,19H,1-3H3;4-6H2,1-3H3;
InChIKeySKYWZMHJSXPSEI-UHFFFAOYSA-N
XLogP6.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.21
LogP ≤ 56.40
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one
CID 12951193
cerium;(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-one
CID 156648922
chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 5148179
tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium
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copper;bis((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 53393500
bis(cobalt(3+));tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 170922988
CID 6849360
CID 6849360
dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 102601110
(Z)-9,9,9-trifluoro-6-hydroxy-3,3,7-trimethyl-7-(2,2,2-trifluoroethyl)non-5-en-4-one
CID 147286139
butane;2,2,3,3,4,4,4-heptafluorobutanoic acid
CID 173358412
(Z)-5-amino-6,6,7,7,7-pentafluoro-2,2-dimethylhept-4-en-3-one
CID 12869248
silver (Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate
CID 56846564

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane?
The IUPAC name of 6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane (CID 146157526) is 6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane.
What is the SMILES notation for 6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane?
The canonical SMILES for 6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane is CC(C)(C)C(=O)C=C(O)C(F)(F)C(F)(F)C(F)(F)F.CCP(CC)CC.[Ag].
What is the InChIKey of 6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane?
The InChIKey is SKYWZMHJSXPSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7O2.C6H15P.Ag/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;1-4-7(5-2)6-3;/h4,19H,1-3H3;4-6H2,1-3H3;.
What are the key properties of 6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane?
6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane has a molecular weight of 522.21 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane is sourced from PubChem (CID 146157526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).