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

C19H13F9NO3Pt- — CID 58401809

IUPAC(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum
SMILESCc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Pt]
InChIInChI=1S/C14H11F3NO.C5H2F6O2.Pt/c1-9-4-11(7-12(5-9)14(15,16)17)13-6-10(8-19)2-3-18-13;6-4(7,8)2(12)1-3(13)5(9,10)11;/h2-6,19H,8H2,1H3;1,12H;/q-1;;/b;2-1-;
InChIKeyXSLKJTBZZASYEJ-FJOGWHKWSA-N
MW669.38 g/mol
LogP5.49
Rot. Bonds3

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

(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum (PubChem CID 58401809) has the molecular formula C19H13F9NO3Pt- and a molecular weight of 669.38 g/mol. Its IUPAC name is (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[3-methyl-5-(trifluoromethyl)benzene-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-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum
PubChem CID58401809
Molecular FormulaC19H13F9NO3Pt-
Molecular Weight669.38 g/mol
Exact Mass669.04
IUPAC Name(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum
SMILESCc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)c1.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Pt]
InChIInChI=1S/C14H11F3NO.C5H2F6O2.Pt/c1-9-4-11(7-12(5-9)14(15,16)17)13-6-10(8-19)2-3-18-13;6-4(7,8)2(12)1-3(13)5(9,10)11;/h2-6,19H,8H2,1H3;1,12H;/q-1;;/b;2-1-;
InChIKeyXSLKJTBZZASYEJ-FJOGWHKWSA-N
XLogP5.49
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.38
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum with MolForge

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Related Compounds

1-(6-(Trifluoromethyl)pyridin-3-yl)ethanol
CID 49760380
(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-(6-methyl-3-pyridinyl)pent-1-en-3-one
CID 162643912
(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one
CID 162675439
(2-Methylpyridin-4-yl)methanol
CID 9942144
2-(Trifluoromethyl)-4-pyridinemethanol
CID 10374971
[3-Fluoro-2-(trifluoromethyl)pyridin-4-yl]methanol
CID 68283421
1-(5-(Trifluoromethyl)pyridin-2-yl)ethan-1-ol
CID 77230907
3-Pyridinemethanol, alpha-methyl-6-(trifluoromethyl)-, (alphaR)-
CID 96532185
2,2-Difluoro-2-(6-methylpyridin-3-yl)ethan-1-ol
CID 118943981
[5-(1,1-Difluoroethyl)pyridin-2-yl]methanol
CID 145913494
(1R)-1-(2-(trifluoromethyl)pyridin-3-yl)ethan-1-ol
CID 146075387
(1S)-1-[2-(trifluoromethyl)pyridin-3-yl]ethan-1-ol
CID 146075388

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[3-methyl-5-(trifluoromethyl)benzene-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-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum (CID 58401809) is (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[3-methyl-5-(trifluoromethyl)benzene-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-[3-methyl-5-(trifluoromethyl)benzene-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-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum is Cc1cc(-c2cc(CO)ccn2)[c-]c(C(F)(F)F)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-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum?
The InChIKey is XSLKJTBZZASYEJ-FJOGWHKWSA-N. The full InChI is InChI=1S/C14H11F3NO.C5H2F6O2.Pt/c1-9-4-11(7-12(5-9)14(15,16)17)13-6-10(8-19)2-3-18-13;6-4(7,8)2(12)1-3(13)5(9,10)11;/h2-6,19H,8H2,1H3;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-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum?
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum has a molecular weight of 669.38 g/mol, XLogP of 5.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum is sourced from PubChem (CID 58401809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).