platinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate)

C20H12F6O2PtS2 — CID 5376687

IUPACplatinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate)
SMILESO=C(/C=C(\[S-])c1ccccc1)C(F)(F)F.O=C(/C=C(\[S-])c1ccccc1)C(F)(F)F.[Pt+2]
InChIInChI=1S/2C10H7F3OS.Pt/c2*11-10(12,13)9(14)6-8(15)7-4-2-1-3-5-7;/h2*1-6,15H;/q;;+2/p-2/b2*8-6-;
InChIKeyFWIDYZNZXORHAK-HIGYRTBYSA-L
MW657.51 g/mol
LogP5.41
Rot. Bonds4

About platinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate)

platinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate) (PubChem CID 5376687) has the molecular formula C20H12F6O2PtS2 and a molecular weight of 657.51 g/mol. Its IUPAC name is platinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate).

Molecular Properties

Compound Nameplatinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate)
PubChem CID5376687
Molecular FormulaC20H12F6O2PtS2
Molecular Weight657.51 g/mol
Exact Mass656.98
IUPAC Nameplatinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate)
SMILESO=C(/C=C(\[S-])c1ccccc1)C(F)(F)F.O=C(/C=C(\[S-])c1ccccc1)C(F)(F)F.[Pt+2]
InChIInChI=1S/2C10H7F3OS.Pt/c2*11-10(12,13)9(14)6-8(15)7-4-2-1-3-5-7;/h2*1-6,15H;/q;;+2/p-2/b2*8-6-;
InChIKeyFWIDYZNZXORHAK-HIGYRTBYSA-L
XLogP5.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.51
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
CID 5366057
iron;tris((Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one)
CID 50930578
(Z)-4-amino-1,1,1-trifluoro-4-phenylbut-3-en-2-one
CID 5372882
(Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate
CID 14818454
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
1,1,1-trifluoro-4-hydroxy-4-pyridin-3-ylbut-3-en-2-one
CID 781038
4,4-bis(benzenesulfonyl)-1,1,1-trifluorobut-3-en-2-one
CID 11177157
(Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one
CID 11811257
hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)
CID 135667027
(E)-4-(dimethylamino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 132542566
(Z)-1,1,1-trifluoro-4-oxo-3-phenylbut-2-ene-2-thiolate
CID 137279575
(E)-1,1,1-trifluoro-4-hydroxy-4-naphthalen-1-ylbut-3-en-2-one
CID 67502188

Frequently Asked Questions

What is the IUPAC name of platinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate)?
The IUPAC name of platinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate) (CID 5376687) is platinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate).
What is the SMILES notation for platinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate)?
The canonical SMILES for platinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate) is O=C(/C=C(\[S-])c1ccccc1)C(F)(F)F.O=C(/C=C(\[S-])c1ccccc1)C(F)(F)F.[Pt+2].
What is the InChIKey of platinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate)?
The InChIKey is FWIDYZNZXORHAK-HIGYRTBYSA-L. The full InChI is InChI=1S/2C10H7F3OS.Pt/c2*11-10(12,13)9(14)6-8(15)7-4-2-1-3-5-7;/h2*1-6,15H;/q;;+2/p-2/b2*8-6-;.
What are the key properties of platinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate)?
platinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate) has a molecular weight of 657.51 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-ene-1-thiolate) is sourced from PubChem (CID 5376687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).