(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum

C19H16F6NO5Pt- — CID 58401585

About (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum

(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum (PubChem CID 58401585) has the molecular formula C19H16F6NO5Pt- and a molecular weight of 647.40 g/mol. Its IUPAC name is (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum.

Molecular Properties

• Compound Name: (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum
• PubChem CID: 58401585
• Molecular Formula: C19H16F6NO5Pt-
• Molecular Weight: 647.40 g/mol
• Exact Mass: 647.06
• IUPAC Name: (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum
• SMILES: COc1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Pt]
• InChI: InChI=1S/C14H14NO3.C5H2F6O2.Pt/c1-18-12-2-3-13(11(7-12)9-17)14-6-10(8-16)4-5-15-14;6-4(7,8)2(12)1-3(13)5(9,10)11;/h2,4-7,16-17H,8-9H2,1H3;1,12H;/q-1;;/b;2-1-
• InChIKey: FZPKFMOIPISBPU-FJOGWHKWSA-N
• XLogP: 3.66
• TPSA: 99.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	647.40
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum?

The IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum (CID 58401585) is (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum.

What is the SMILES notation for (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum?

The canonical SMILES for (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum is COc1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Pt].

What is the InChIKey of (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum?

The InChIKey is FZPKFMOIPISBPU-FJOGWHKWSA-N. The full InChI is InChI=1S/C14H14NO3.C5H2F6O2.Pt/c1-18-12-2-3-13(11(7-12)9-17)14-6-10(8-16)4-5-15-14;6-4(7,8)2(12)1-3(13)5(9,10)11;/h2,4-7,16-17H,8-9H2,1H3;1,12H;/q-1;;/b;2-1-;.

What are the key properties of (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum?

(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum has a molecular weight of 647.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum is sourced from PubChem (CID 58401585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).