ethoxycarbonyl 2-fluoroacetate;palladium

C5H7FO4Pd — CID 174611584

IUPACethoxycarbonyl 2-fluoroacetate;palladium
SMILESCCOC(=O)OC(=O)CF.[Pd]
InChIInChI=1S/C5H7FO4.Pd/c1-2-9-5(8)10-4(7)3-6;/h2-3H2,1H3;
InChIKeyAWKQPSAVDRWFEZ-UHFFFAOYSA-N
MW256.52 g/mol
LogP0.65
Rot. Bonds2

About ethoxycarbonyl 2-fluoroacetate;palladium

ethoxycarbonyl 2-fluoroacetate;palladium (PubChem CID 174611584) has the molecular formula C5H7FO4Pd and a molecular weight of 256.52 g/mol. Its IUPAC name is ethoxycarbonyl 2-fluoroacetate;palladium.

Molecular Properties

Compound Nameethoxycarbonyl 2-fluoroacetate;palladium
PubChem CID174611584
Molecular FormulaC5H7FO4Pd
Molecular Weight256.52 g/mol
Exact Mass255.94
IUPAC Nameethoxycarbonyl 2-fluoroacetate;palladium
SMILESCCOC(=O)OC(=O)CF.[Pd]
InChIInChI=1S/C5H7FO4.Pd/c1-2-9-5(8)10-4(7)3-6;/h2-3H2,1H3;
InChIKeyAWKQPSAVDRWFEZ-UHFFFAOYSA-N
XLogP0.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.52
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-fluoroacetate;propanoic acid
CID 175746164
bis(ethoxycarbonyl) octanedioate
CID 175404466
ethoxycarbonyl acetate
CID 169432619
dimethylcarbamoyl ethyl carbonate
CID 139667668
difluoromethane;ethyl fluoro carbonate
CID 175519829
CID 175796855
CID 175796855
ethoxycarbonyl 2-(diaminomethylideneamino)acetate
CID 174637837
2,2-difluoroacetic acid;ethyl 2-fluoroacetate
CID 174837153
ethyl fluoro carbonate
CID 18542699
ethoxycarbonyl 2-(propan-2-ylamino)acetate
CID 174827011
ethoxycarbonyl 2-amino-2-oxoacetate
CID 174250262
magnesium;diethyl carbonate;hydride
CID 173249173

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyl 2-fluoroacetate;palladium?
The IUPAC name of ethoxycarbonyl 2-fluoroacetate;palladium (CID 174611584) is ethoxycarbonyl 2-fluoroacetate;palladium.
What is the SMILES notation for ethoxycarbonyl 2-fluoroacetate;palladium?
The canonical SMILES for ethoxycarbonyl 2-fluoroacetate;palladium is CCOC(=O)OC(=O)CF.[Pd].
What is the InChIKey of ethoxycarbonyl 2-fluoroacetate;palladium?
The InChIKey is AWKQPSAVDRWFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO4.Pd/c1-2-9-5(8)10-4(7)3-6;/h2-3H2,1H3;.
What are the key properties of ethoxycarbonyl 2-fluoroacetate;palladium?
ethoxycarbonyl 2-fluoroacetate;palladium has a molecular weight of 256.52 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyl 2-fluoroacetate;palladium is sourced from PubChem (CID 174611584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).