(2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate

C8H10F2O5 — CID 162057349

IUPAC(2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate
SMILESC=CC(=O)OC.O=C(CF)OC(=O)CF
InChIInChI=1S/C4H4F2O3.C4H6O2/c5-1-3(7)9-4(8)2-6;1-3-4(5)6-2/h1-2H2;3H,1H2,2H3
InChIKeyYZJAAFOAOREILK-UHFFFAOYSA-N
MW224.16 g/mol
LogP0.34
Rot. Bonds3

About (2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate

(2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate (PubChem CID 162057349) has the molecular formula C8H10F2O5 and a molecular weight of 224.16 g/mol. Its IUPAC name is (2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate.

Molecular Properties

Compound Name(2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate
PubChem CID162057349
Molecular FormulaC8H10F2O5
Molecular Weight224.16 g/mol
Exact Mass224.05
IUPAC Name(2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate
SMILESC=CC(=O)OC.O=C(CF)OC(=O)CF
InChIInChI=1S/C4H4F2O3.C4H6O2/c5-1-3(7)9-4(8)2-6;1-3-4(5)6-2/h1-2H2;3H,1H2,2H3
InChIKeyYZJAAFOAOREILK-UHFFFAOYSA-N
XLogP0.34
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid
CID 175408800
bis(methyl prop-2-enoate);propane
CID 160610529
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
dimethoxymethane;methyl prop-2-enoate
CID 162245850
methyl prop-2-enoate;2H-triazole
CID 175001019
dimethyltin;methyl prop-2-enoate
CID 174578648
3-chloroprop-1-ene;methyl prop-2-enoate
CID 19001181
methyl prop-2-enoate;sulfuric acid
CID 174506127
diiodolead;methyl prop-2-enoate
CID 175762695
chloroform;methyl prop-2-enoate
CID 123529405

Frequently Asked Questions

What is the IUPAC name of (2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate?
The IUPAC name of (2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate (CID 162057349) is (2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate.
What is the SMILES notation for (2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate?
The canonical SMILES for (2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate is C=CC(=O)OC.O=C(CF)OC(=O)CF.
What is the InChIKey of (2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate?
The InChIKey is YZJAAFOAOREILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O3.C4H6O2/c5-1-3(7)9-4(8)2-6;1-3-4(5)6-2/h1-2H2;3H,1H2,2H3.
What are the key properties of (2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate?
(2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate has a molecular weight of 224.16 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate is sourced from PubChem (CID 162057349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).