methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate

C6H9F3O4 — CID 58692130

IUPACmethyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate
SMILESCOC(=O)C(F)(OCF)OCCF
InChIInChI=1S/C6H9F3O4/c1-11-5(10)6(9,13-4-8)12-3-2-7/h2-4H2,1H3
InChIKeyQWMKESBTLSYLPR-UHFFFAOYSA-N
MW202.13 g/mol
LogP0.71
Rot. Bonds6

About methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate

methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate (PubChem CID 58692130) has the molecular formula C6H9F3O4 and a molecular weight of 202.13 g/mol. Its IUPAC name is methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate.

Molecular Properties

Compound Namemethyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate
PubChem CID58692130
Molecular FormulaC6H9F3O4
Molecular Weight202.13 g/mol
Exact Mass202.05
IUPAC Namemethyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate
SMILESCOC(=O)C(F)(OCF)OCCF
InChIInChI=1S/C6H9F3O4/c1-11-5(10)6(9,13-4-8)12-3-2-7/h2-4H2,1H3
InChIKeyQWMKESBTLSYLPR-UHFFFAOYSA-N
XLogP0.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2,2,2-triethoxyacetate
CID 5090273
Ethyl 2-(2,2,2-trifluoroethoxy)acetate
CID 13148955
2-Methoxy-2-oxoethyl trifluoroacetate
CID 13115459
Ethyl 2,2-difluoro-2-methoxyacetate
CID 13419346
2-Ethoxy-2-oxoethyl 2,2,2-trifluoroacetate
CID 15104038
Methyl 2-ethoxy-2,2-difluoroacetate
CID 18995471
(2,2-Dimethoxyacetyl) 2,2,2-trifluoroacetate
CID 11964333
(2,2-Diethoxyacetyl) 2,2,2-trifluoroacetate
CID 135086815
Methoxymethyl 2-methoxyacetate
CID 18714495
2,2-Diethoxyacetate
CID 22600241
Ethyl 2-(methoxymethoxy)acetate
CID 23243227
Dimethyl 2,2'-[methylenebis(oxy)]diacetate
CID 57675662

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate?
The IUPAC name of methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate (CID 58692130) is methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate.
What is the SMILES notation for methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate?
The canonical SMILES for methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate is COC(=O)C(F)(OCF)OCCF.
What is the InChIKey of methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate?
The InChIKey is QWMKESBTLSYLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O4/c1-11-5(10)6(9,13-4-8)12-3-2-7/h2-4H2,1H3.
What are the key properties of methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate?
methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate has a molecular weight of 202.13 g/mol, XLogP of 0.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate is sourced from PubChem (CID 58692130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).