sodium ethyl 2-fluoroacetate

C4H6FNaO2 — CID 162455444

IUPACsodium ethyl 2-fluoroacetate
SMILESCCOC(=O)[CH-]F.[Na+]
InChIInChI=1S/C4H6FO2.Na/c1-2-7-4(6)3-5;/h3H,2H2,1H3;/q-1;+1
InChIKeyBOWGSCZRCMSGMK-UHFFFAOYSA-N
MW128.08 g/mol
LogP-2.32
Rot. Bonds2

About sodium ethyl 2-fluoroacetate

sodium ethyl 2-fluoroacetate (PubChem CID 162455444) has the molecular formula C4H6FNaO2 and a molecular weight of 128.08 g/mol. Its IUPAC name is sodium ethyl 2-fluoroacetate.

Molecular Properties

Compound Namesodium ethyl 2-fluoroacetate
PubChem CID162455444
Molecular FormulaC4H6FNaO2
Molecular Weight128.08 g/mol
Exact Mass128.02
IUPAC Namesodium ethyl 2-fluoroacetate
SMILESCCOC(=O)[CH-]F.[Na+]
InChIInChI=1S/C4H6FO2.Na/c1-2-7-4(6)3-5;/h3H,2H2,1H3;/q-1;+1
InChIKeyBOWGSCZRCMSGMK-UHFFFAOYSA-N
XLogP-2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.08
LogP ≤ 5-2.32
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

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CID 174891497
ethyl 2-bromoacetate;zinc
CID 130407816
ethyl 3-oxobutanoate;vanadium
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zinc bis(ethyl 3-sulfanylpropanoate)
CID 87181648
ethyl difluoroboranylformate
CID 16661516
bromozinc(1+);ethyl pentanoate
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sodium;ethyl acetate;iodide
CID 175319293
ethyl hexanoate;oxovanadium
CID 175112171
sodium;diethyl decanedioate;hydride
CID 173076435
bromozinc(1+);ethyl 2,2-difluoroacetate
CID 11196450
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750

Frequently Asked Questions

What is the IUPAC name of sodium ethyl 2-fluoroacetate?
The IUPAC name of sodium ethyl 2-fluoroacetate (CID 162455444) is sodium ethyl 2-fluoroacetate.
What is the SMILES notation for sodium ethyl 2-fluoroacetate?
The canonical SMILES for sodium ethyl 2-fluoroacetate is CCOC(=O)[CH-]F.[Na+].
What is the InChIKey of sodium ethyl 2-fluoroacetate?
The InChIKey is BOWGSCZRCMSGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FO2.Na/c1-2-7-4(6)3-5;/h3H,2H2,1H3;/q-1;+1.
What are the key properties of sodium ethyl 2-fluoroacetate?
sodium ethyl 2-fluoroacetate has a molecular weight of 128.08 g/mol, XLogP of -2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethyl 2-fluoroacetate is sourced from PubChem (CID 162455444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).