ethoxycarbonyl 2-fluoroacetate

C5H7FO4 — CID 58570820

IUPACethoxycarbonyl 2-fluoroacetate
SMILESCCOC(=O)OC(=O)CF
InChIInChI=1S/C5H7FO4/c1-2-9-5(8)10-4(7)3-6/h2-3H2,1H3
InChIKeyPQSCPGSSLCPFKE-UHFFFAOYSA-N
MW150.10 g/mol
LogP0.66
Rot. Bonds2

About ethoxycarbonyl 2-fluoroacetate

ethoxycarbonyl 2-fluoroacetate (PubChem CID 58570820) has the molecular formula C5H7FO4 and a molecular weight of 150.10 g/mol. Its IUPAC name is ethoxycarbonyl 2-fluoroacetate.

Molecular Properties

Compound Nameethoxycarbonyl 2-fluoroacetate
PubChem CID58570820
Molecular FormulaC5H7FO4
Molecular Weight150.10 g/mol
Exact Mass150.03
IUPAC Nameethoxycarbonyl 2-fluoroacetate
SMILESCCOC(=O)OC(=O)CF
InChIInChI=1S/C5H7FO4/c1-2-9-5(8)10-4(7)3-6/h2-3H2,1H3
InChIKeyPQSCPGSSLCPFKE-UHFFFAOYSA-N
XLogP0.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 50.66
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

Methanol, 1,1-diethoxy-, 1-acetate
CID 84166
1-Fluoroethyl methyl carbonate
CID 11586304
Acetic acid, anhydride with ethyl hydrogen carbonate
CID 13486066
Carbonic acid, 2-fluoroethyl methyl ester
CID 53235554
2-Fluoroethoxymethyl methyl carbonate
CID 58051865
Methoxymethyl 2-fluoroacetate
CID 59271158
Acetyloxymethyl 2-fluoroacetate
CID 59319829
Fluoromethoxymethyl acetate
CID 60102136
Ethyl fluoromethyl carbonate
CID 86229236
Trimethoxymethyl 2,2-difluoroacetate
CID 87157139
Diethoxymethyl 2,2,2-trifluoroacetate
CID 87157148
Triethoxymethyl 2,2,2-trifluoroacetate
CID 87157153

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyl 2-fluoroacetate?
The IUPAC name of ethoxycarbonyl 2-fluoroacetate (CID 58570820) is ethoxycarbonyl 2-fluoroacetate.
What is the SMILES notation for ethoxycarbonyl 2-fluoroacetate?
The canonical SMILES for ethoxycarbonyl 2-fluoroacetate is CCOC(=O)OC(=O)CF.
What is the InChIKey of ethoxycarbonyl 2-fluoroacetate?
The InChIKey is PQSCPGSSLCPFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO4/c1-2-9-5(8)10-4(7)3-6/h2-3H2,1H3.
What are the key properties of ethoxycarbonyl 2-fluoroacetate?
ethoxycarbonyl 2-fluoroacetate has a molecular weight of 150.10 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyl 2-fluoroacetate is sourced from PubChem (CID 58570820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).