2-fluoroethyl 2-methylperoxy-2-oxoacetate

C5H7FO5 — CID 89415484

IUPAC2-fluoroethyl 2-methylperoxy-2-oxoacetate
SMILESCOOC(=O)C(=O)OCCF
InChIInChI=1S/C5H7FO5/c1-9-11-5(8)4(7)10-3-2-6/h2-3H2,1H3
InChIKeyCFDITJYNIGWPQB-UHFFFAOYSA-N
MW166.10 g/mol
LogP-0.40
Rot. Bonds3

About 2-fluoroethyl 2-methylperoxy-2-oxoacetate

2-fluoroethyl 2-methylperoxy-2-oxoacetate (PubChem CID 89415484) has the molecular formula C5H7FO5 and a molecular weight of 166.10 g/mol. Its IUPAC name is 2-fluoroethyl 2-methylperoxy-2-oxoacetate.

Molecular Properties

Compound Name2-fluoroethyl 2-methylperoxy-2-oxoacetate
PubChem CID89415484
Molecular FormulaC5H7FO5
Molecular Weight166.10 g/mol
Exact Mass166.03
IUPAC Name2-fluoroethyl 2-methylperoxy-2-oxoacetate
SMILESCOOC(=O)C(=O)OCCF
InChIInChI=1S/C5H7FO5/c1-9-11-5(8)4(7)10-3-2-6/h2-3H2,1H3
InChIKeyCFDITJYNIGWPQB-UHFFFAOYSA-N
XLogP-0.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-fluoroethyl 2-methylperoxy-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoroethyl carbonochloridate
CID 10017
2-fluoroethyl 2-sulfanylpropanoate
CID 154185031
bis(2-fluoroethyl) 2-ethylbutanedioate
CID 20768695
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate
CID 165344355
methoxy carbonofluoridate
CID 172738404
(Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid
CID 87627186
2-fluoroethyl cyclopropanecarboxylate
CID 130693210
difluoromethyl 2-fluoroethyl carbonate
CID 87091095
2-hydroxyethyl 5-hydroxy-2-methylhept-2-enoate
CID 57211942
1-fluoro-2-methoxyethane
CID 12317
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-methylperoxy-2-oxoacetate?
The IUPAC name of 2-fluoroethyl 2-methylperoxy-2-oxoacetate (CID 89415484) is 2-fluoroethyl 2-methylperoxy-2-oxoacetate.
What is the SMILES notation for 2-fluoroethyl 2-methylperoxy-2-oxoacetate?
The canonical SMILES for 2-fluoroethyl 2-methylperoxy-2-oxoacetate is COOC(=O)C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 2-methylperoxy-2-oxoacetate?
The InChIKey is CFDITJYNIGWPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO5/c1-9-11-5(8)4(7)10-3-2-6/h2-3H2,1H3.
What are the key properties of 2-fluoroethyl 2-methylperoxy-2-oxoacetate?
2-fluoroethyl 2-methylperoxy-2-oxoacetate has a molecular weight of 166.10 g/mol, XLogP of -0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-methylperoxy-2-oxoacetate is sourced from PubChem (CID 89415484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).