cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+)

C19H14F2FeO2 — CID 78124780

IUPACcyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+)
SMILES[Fe+2].[O-]c1c(F)cc(F)cc1C(O)=CC=C1C=CC=C1.c1cc[cH-]c1
InChIInChI=1S/C14H10F2O2.C5H5.Fe/c15-10-7-11(14(18)12(16)8-10)13(17)6-5-9-3-1-2-4-9;1-2-4-5-3-1;/h1-8,17-18H;1-5H;/q;-1;+2/p-1
InChIKeyVVXCODOSDAEKGW-UHFFFAOYSA-M
MW368.16 g/mol
LogP4.39
Rot. Bonds2

About cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+)

cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+) (PubChem CID 78124780) has the molecular formula C19H14F2FeO2 and a molecular weight of 368.16 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+)
PubChem CID78124780
Molecular FormulaC19H14F2FeO2
Molecular Weight368.16 g/mol
Exact Mass368.03
IUPAC Namecyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+)
SMILES[Fe+2].[O-]c1c(F)cc(F)cc1C(O)=CC=C1C=CC=C1.c1cc[cH-]c1
InChIInChI=1S/C14H10F2O2.C5H5.Fe/c15-10-7-11(14(18)12(16)8-10)13(17)6-5-9-3-1-2-4-9;1-2-4-5-3-1;/h1-8,17-18H;1-5H;/q;-1;+2/p-1
InChIKeyVVXCODOSDAEKGW-UHFFFAOYSA-M
XLogP4.39
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.16
LogP ≤ 54.39
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

(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol
CID 71592743
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
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;(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate;iron(2+)
CID 50909408
cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+)
CID 139234486
bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene
CID 174499861
cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+)
CID 175720189
3,5-difluoro-2-nitrobenzoic acid
CID 2783365
bis(cyclopenta-1,3-diene);iron(2+);phenol
CID 173093815
bis(cyclopenta-1,3-diene);bis(4-fluorophenol);zirconium(2+)
CID 141004832
2-[(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl]-3-methoxyphenol
CID 71592841
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)
CID 169092793

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+) (CID 78124780) is cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+) is [Fe+2].[O-]c1c(F)cc(F)cc1C(O)=CC=C1C=CC=C1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+)?
The InChIKey is VVXCODOSDAEKGW-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10F2O2.C5H5.Fe/c15-10-7-11(14(18)12(16)8-10)13(17)6-5-9-3-1-2-4-9;1-2-4-5-3-1;/h1-8,17-18H;1-5H;/q;-1;+2/p-1.
What are the key properties of cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+)?
cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+) has a molecular weight of 368.16 g/mol, XLogP of 4.39, 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;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+) is sourced from PubChem (CID 78124780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).