1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper

C15H2CuF10O2 — CID 159338327

IUPAC1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper
SMILESO=C(CC(=O)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[Cu]
InChIInChI=1S/C15H2F10O2.Cu/c16-6-4(7(17)11(21)14(24)10(6)20)2(26)1-3(27)5-8(18)12(22)15(25)13(23)9(5)19;/h1H2;
InChIKeyLFVCUOBCZVYNKR-UHFFFAOYSA-N
MW467.71 g/mol
LogP4.53
Rot. Bonds4

About 1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper

1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper (PubChem CID 159338327) has the molecular formula C15H2CuF10O2 and a molecular weight of 467.71 g/mol. Its IUPAC name is 1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper.

Molecular Properties

Compound Name1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper
PubChem CID159338327
Molecular FormulaC15H2CuF10O2
Molecular Weight467.71 g/mol
Exact Mass466.92
IUPAC Name1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper
SMILESO=C(CC(=O)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[Cu]
InChIInChI=1S/C15H2F10O2.Cu/c16-6-4(7(17)11(21)14(24)10(6)20)2(26)1-3(27)5-8(18)12(22)15(25)13(23)9(5)19;/h1H2;
InChIKeyLFVCUOBCZVYNKR-UHFFFAOYSA-N
XLogP4.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.71
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,5-bis(2,3,4,5,6-pentafluorophenyl)pentane-1,5-dione
CID 12687568
2-iodo-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 89355584
1-(2,3,4,5,6-pentafluorophenyl)propan-1-one
CID 23263422
4-bromo-1-(2,3,4,5,6-pentafluorophenyl)butan-1-one
CID 146007732
2,3,4,5,6-pentafluoro(13C)benzoic acid
CID 171380486
1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)propan-1-one
CID 21138799
3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one
CID 146007743
mercury;3,4,5,6-tetrafluorophthalic acid
CID 87844638
alumane;2,3,4,5,6-pentafluorobenzoic acid
CID 175014450
cadmium;bis(2,3,4,5,6-pentafluorobenzoic acid)
CID 135046490
potassium (2,3,4,5,6-pentafluorobenzoyl)azanide
CID 171919116
1-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propan-1-one
CID 164772507

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper?
The IUPAC name of 1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper (CID 159338327) is 1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper.
What is the SMILES notation for 1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper?
The canonical SMILES for 1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper is O=C(CC(=O)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[Cu].
What is the InChIKey of 1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper?
The InChIKey is LFVCUOBCZVYNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H2F10O2.Cu/c16-6-4(7(17)11(21)14(24)10(6)20)2(26)1-3(27)5-8(18)12(22)15(25)13(23)9(5)19;/h1H2;.
What are the key properties of 1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper?
1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper has a molecular weight of 467.71 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper is sourced from PubChem (CID 159338327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).