cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+)

C17H12F2FeO — CID 175720189

IUPACcyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+)
SMILES[Fe+2].[O-]C(=C1C=CC=C1F)c1ccccc1F.c1cc[cH-]c1
InChIInChI=1S/C12H8F2O.C5H5.Fe/c13-10-6-2-1-4-8(10)12(15)9-5-3-7-11(9)14;1-2-4-5-3-1;/h1-7,15H;1-5H;/q;-1;+2/p-1
InChIKeyOXOAKCVQWNWCBI-UHFFFAOYSA-M
MW326.12 g/mol
LogP3.72
Rot. Bonds1

About cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+)

cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+) (PubChem CID 175720189) has the molecular formula C17H12F2FeO and a molecular weight of 326.12 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+)
PubChem CID175720189
Molecular FormulaC17H12F2FeO
Molecular Weight326.12 g/mol
Exact Mass326.02
IUPAC Namecyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+)
SMILES[Fe+2].[O-]C(=C1C=CC=C1F)c1ccccc1F.c1cc[cH-]c1
InChIInChI=1S/C12H8F2O.C5H5.Fe/c13-10-6-2-1-4-8(10)12(15)9-5-3-7-11(9)14;1-2-4-5-3-1;/h1-7,15H;1-5H;/q;-1;+2/p-1
InChIKeyOXOAKCVQWNWCBI-UHFFFAOYSA-M
XLogP3.72
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(2-bromophenyl)-cyclopenta-2,4-dien-1-ylidenemethanolate;cyclopenta-1,3-diene;iron(2+)
CID 131722396
lithium 2-fluorobenzoate
CID 19205780
cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+)
CID 15191942
dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)
CID 139036983
cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+)
CID 57351793
2-fluorobenzoate;triphenylsulfanium
CID 22345030
2-fluorobenzoyl chloride
CID 9808
2-fluorobenzoyl chloride;hydrochloride
CID 172728813
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
nickel(2+);phthalate
CID 15798393
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene
CID 118140779

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+) (CID 175720189) is cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+) is [Fe+2].[O-]C(=C1C=CC=C1F)c1ccccc1F.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+)?
The InChIKey is OXOAKCVQWNWCBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8F2O.C5H5.Fe/c13-10-6-2-1-4-8(10)12(15)9-5-3-7-11(9)14;1-2-4-5-3-1;/h1-7,15H;1-5H;/q;-1;+2/p-1.
What are the key properties of cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+)?
cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+) has a molecular weight of 326.12 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;(2-fluorocyclopenta-2,4-dien-1-ylidene)-(2-fluorophenyl)methanolate;iron(2+) is sourced from PubChem (CID 175720189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).