cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+)

C19H15FFeO2 — CID 157292063

IUPACcyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+)
SMILES[Fe+2].[O-]C(=CC=C1C=CC=C1)c1ccc(F)cc1O.c1cc[cH-]c1
InChIInChI=1S/C14H11FO2.C5H5.Fe/c15-11-6-7-12(14(17)9-11)13(16)8-5-10-3-1-2-4-10;1-2-4-5-3-1;/h1-9,16-17H;1-5H;/q;-1;+2/p-1
InChIKeyFAYSHQGHPJXCRC-UHFFFAOYSA-M
MW350.17 g/mol
LogP3.69
Rot. Bonds2

About cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+)

cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+) (PubChem CID 157292063) has the molecular formula C19H15FFeO2 and a molecular weight of 350.17 g/mol. Its IUPAC name is cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+)
PubChem CID157292063
Molecular FormulaC19H15FFeO2
Molecular Weight350.17 g/mol
Exact Mass350.04
IUPAC Namecyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+)
SMILES[Fe+2].[O-]C(=CC=C1C=CC=C1)c1ccc(F)cc1O.c1cc[cH-]c1
InChIInChI=1S/C14H11FO2.C5H5.Fe/c15-11-6-7-12(14(17)9-11)13(16)8-5-10-3-1-2-4-10;1-2-4-5-3-1;/h1-9,16-17H;1-5H;/q;-1;+2/p-1
InChIKeyFAYSHQGHPJXCRC-UHFFFAOYSA-M
XLogP3.69
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(2-hydroxy-4-methylphenyl)prop-1-en-1-olate;iron(2+)
CID 75579740
cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+)
CID 78124780
cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+)
CID 139234486
cyclopenta-1,3-diene;(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate;iron(2+)
CID 50909408
bis(4-fluoro-2-hydroxyphenyl)methanone
CID 125469613
bis(cyclopenta-1,3-diene);bis(4-fluorophenol);zirconium(2+)
CID 141004832
(2-bromophenyl)-cyclopenta-2,4-dien-1-ylidenemethanolate;cyclopenta-1,3-diene;iron(2+)
CID 131722396
ethane;5-fluoro-2-prop-1-en-2-ylphenol
CID 142945481
cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+)
CID 175720189
bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene
CID 174499861
2-[(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl]-3-methoxyphenol
CID 71592841
(4-chlorophenyl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 10399889

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+) (CID 157292063) is cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+) is [Fe+2].[O-]C(=CC=C1C=CC=C1)c1ccc(F)cc1O.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+)?
The InChIKey is FAYSHQGHPJXCRC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11FO2.C5H5.Fe/c15-11-6-7-12(14(17)9-11)13(16)8-5-10-3-1-2-4-10;1-2-4-5-3-1;/h1-9,16-17H;1-5H;/q;-1;+2/p-1.
What are the key properties of cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+)?
cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+) has a molecular weight of 350.17 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+) is sourced from PubChem (CID 157292063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).