bis(2-chloroprop-2-enoate);iron(2+)

C6H4Cl2FeO4 — CID 19736162

IUPACbis(2-chloroprop-2-enoate);iron(2+)
SMILESC=C(Cl)C(=O)[O-].C=C(Cl)C(=O)[O-].[Fe+2]
InChIInChI=1S/2C3H3ClO2.Fe/c2*1-2(4)3(5)6;/h2*1H2,(H,5,6);/q;;+2/p-2
InChIKeyGEZSLLNUDIDDCS-UHFFFAOYSA-L
MW266.84 g/mol
LogP-1.02
Rot. Bonds2

About bis(2-chloroprop-2-enoate);iron(2+)

bis(2-chloroprop-2-enoate);iron(2+) (PubChem CID 19736162) has the molecular formula C6H4Cl2FeO4 and a molecular weight of 266.84 g/mol. Its IUPAC name is bis(2-chloroprop-2-enoate);iron(2+).

Molecular Properties

Compound Namebis(2-chloroprop-2-enoate);iron(2+)
PubChem CID19736162
Molecular FormulaC6H4Cl2FeO4
Molecular Weight266.84 g/mol
Exact Mass265.88
IUPAC Namebis(2-chloroprop-2-enoate);iron(2+)
SMILESC=C(Cl)C(=O)[O-].C=C(Cl)C(=O)[O-].[Fe+2]
InChIInChI=1S/2C3H3ClO2.Fe/c2*1-2(4)3(5)6;/h2*1H2,(H,5,6);/q;;+2/p-2
InChIKeyGEZSLLNUDIDDCS-UHFFFAOYSA-L
XLogP-1.02
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.84
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cadmium(2+);bis(2-chloroprop-2-enoate)
CID 22604256
carbonochloridic acid;prop-1-en-2-olate
CID 172743448
icosapotassium;carbonic acid;hydrogen carbonate
CID 173305158
decapotassium;carbonic acid;pentacarbonate
CID 173334932
2-chloroprop-2-enoic acid;gallane
CID 173230752
2-methylprop-2-enoate
CID 19005746
Trioxidocarbonate(.1-)
CID 5460603
2-chloropent-1-en-3-one
CID 12710524
bis(2-methylprop-2-enoate);samarium
CID 175299700
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326
hexakis(2-methylprop-2-enoate);molybdenum
CID 173015670
2-chloroprop-2-enoic acid;rutherfordium;yttrium
CID 58856303

Frequently Asked Questions

What is the IUPAC name of bis(2-chloroprop-2-enoate);iron(2+)?
The IUPAC name of bis(2-chloroprop-2-enoate);iron(2+) (CID 19736162) is bis(2-chloroprop-2-enoate);iron(2+).
What is the SMILES notation for bis(2-chloroprop-2-enoate);iron(2+)?
The canonical SMILES for bis(2-chloroprop-2-enoate);iron(2+) is C=C(Cl)C(=O)[O-].C=C(Cl)C(=O)[O-].[Fe+2].
What is the InChIKey of bis(2-chloroprop-2-enoate);iron(2+)?
The InChIKey is GEZSLLNUDIDDCS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H3ClO2.Fe/c2*1-2(4)3(5)6;/h2*1H2,(H,5,6);/q;;+2/p-2.
What are the key properties of bis(2-chloroprop-2-enoate);iron(2+)?
bis(2-chloroprop-2-enoate);iron(2+) has a molecular weight of 266.84 g/mol, XLogP of -1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloroprop-2-enoate);iron(2+) is sourced from PubChem (CID 19736162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).