ethyl 2,2-difluoroacetate;tungsten(2+)

C4H5F2O2W+ — CID 21037782

IUPACethyl 2,2-difluoroacetate;tungsten(2+)
SMILESCCOC(=O)[C-](F)F.[W+2]
InChIInChI=1S/C4H5F2O2.W/c1-2-8-4(7)3(5)6;/h2H2,1H3;/q-1;+2
InChIKeyPFAAUFPNRNGQJI-UHFFFAOYSA-N
MW306.92 g/mol
LogP0.98
Rot. Bonds2

About ethyl 2,2-difluoroacetate;tungsten(2+)

ethyl 2,2-difluoroacetate;tungsten(2+) (PubChem CID 21037782) has the molecular formula C4H5F2O2W+ and a molecular weight of 306.92 g/mol. Its IUPAC name is ethyl 2,2-difluoroacetate;tungsten(2+).

Molecular Properties

Compound Nameethyl 2,2-difluoroacetate;tungsten(2+)
PubChem CID21037782
Molecular FormulaC4H5F2O2W+
Molecular Weight306.92 g/mol
Exact Mass306.98
IUPAC Nameethyl 2,2-difluoroacetate;tungsten(2+)
SMILESCCOC(=O)[C-](F)F.[W+2]
InChIInChI=1S/C4H5F2O2.W/c1-2-8-4(7)3(5)6;/h2H2,1H3;/q-1;+2
InChIKeyPFAAUFPNRNGQJI-UHFFFAOYSA-N
XLogP0.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.92
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

bromozinc(1+);ethyl 2,2-difluoroacetate
CID 11196450
sodium ethyl 2-methylpropanoate
CID 21400557
lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
CID 177418915
CID 88807470
CID 88807470
sodium diethyl 2-acetamidopropanedioate
CID 11010044
ethyl carbamate
CID 21202847
ethyl carbamate
CID 161409576
ethyl carbamate
CID 158786750
CID 175796855
CID 175796855
CID 159370772
CID 159370772
ethyl fluoro carbonate
CID 18542699
diethyl 2,3-difluorobutanedioate
CID 12868425

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoroacetate;tungsten(2+)?
The IUPAC name of ethyl 2,2-difluoroacetate;tungsten(2+) (CID 21037782) is ethyl 2,2-difluoroacetate;tungsten(2+).
What is the SMILES notation for ethyl 2,2-difluoroacetate;tungsten(2+)?
The canonical SMILES for ethyl 2,2-difluoroacetate;tungsten(2+) is CCOC(=O)[C-](F)F.[W+2].
What is the InChIKey of ethyl 2,2-difluoroacetate;tungsten(2+)?
The InChIKey is PFAAUFPNRNGQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2O2.W/c1-2-8-4(7)3(5)6;/h2H2,1H3;/q-1;+2.
What are the key properties of ethyl 2,2-difluoroacetate;tungsten(2+)?
ethyl 2,2-difluoroacetate;tungsten(2+) has a molecular weight of 306.92 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoroacetate;tungsten(2+) is sourced from PubChem (CID 21037782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).