bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver

C16H14Ag2F12O4 — CID 134901431

IUPACbis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver
SMILESCCC#CCC.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Ag].[Ag]
InChIInChI=1S/C6H10.2C5H2F6O2.2Ag/c1-3-5-6-4-2;2*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h3-4H2,1-2H3;2*1,12H;;/b;2*2-1-;;
InChIKeyUDJOULPWSALCPH-MSURVMPUSA-N
MW714.00 g/mol
LogP6.05
Rot. Bonds2

About bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver

bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver (PubChem CID 134901431) has the molecular formula C16H14Ag2F12O4 and a molecular weight of 714.00 g/mol. Its IUPAC name is bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver.

Molecular Properties

Compound Namebis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver
PubChem CID134901431
Molecular FormulaC16H14Ag2F12O4
Molecular Weight714.00 g/mol
Exact Mass711.88
IUPAC Namebis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver
SMILESCCC#CCC.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Ag].[Ag]
InChIInChI=1S/C6H10.2C5H2F6O2.2Ag/c1-3-5-6-4-2;2*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h3-4H2,1-2H3;2*1,12H;;/b;2*2-1-;;
InChIKeyUDJOULPWSALCPH-MSURVMPUSA-N
XLogP6.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.00
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver?
The IUPAC name of bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver (CID 134901431) is bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver.
What is the SMILES notation for bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver?
The canonical SMILES for bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver is CCC#CCC.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Ag].[Ag].
What is the InChIKey of bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver?
The InChIKey is UDJOULPWSALCPH-MSURVMPUSA-N. The full InChI is InChI=1S/C6H10.2C5H2F6O2.2Ag/c1-3-5-6-4-2;2*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h3-4H2,1-2H3;2*1,12H;;/b;2*2-1-;;.
What are the key properties of bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver?
bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver has a molecular weight of 714.00 g/mol, XLogP of 6.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);hex-3-yne;silver is sourced from PubChem (CID 134901431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).