2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate

C12H22F2O5 — CID 58502647

IUPAC2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate
SMILESCCOCOCCOC(=O)C(C)(C)COC(F)CF
InChIInChI=1S/C12H22F2O5/c1-4-16-9-17-5-6-18-11(15)12(2,3)8-19-10(14)7-13/h10H,4-9H2,1-3H3
InChIKeyRKQSQKUEQDQQRI-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.85
Rot. Bonds11

About 2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate

2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate (PubChem CID 58502647) has the molecular formula C12H22F2O5 and a molecular weight of 284.30 g/mol. Its IUPAC name is 2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate
PubChem CID58502647
Molecular FormulaC12H22F2O5
Molecular Weight284.30 g/mol
Exact Mass284.14
IUPAC Name2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate
SMILESCCOCOCCOC(=O)C(C)(C)COC(F)CF
InChIInChI=1S/C12H22F2O5/c1-4-16-9-17-5-6-18-11(15)12(2,3)8-19-10(14)7-13/h10H,4-9H2,1-3H3
InChIKeyRKQSQKUEQDQQRI-UHFFFAOYSA-N
XLogP1.85
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate 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

Ethyl 3,3-diethoxy-2,2-difluoropropanoate
CID 138990926
Ethyl 3,3-diethoxy-2-fluoropropanoate
CID 13844046
2-(Ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate
CID 58502650
2-(Ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate
CID 58502651
Difluoromethane;2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate;fluoromethane;1-fluoropropane;1,1,1,2-tetrafluoroethane
CID 123197806
Methyl 2-(acetyloxymethyl)-3-(2,2-difluoro-2-hydroxyethoxy)carbonyloxy-2-methylpropanoate
CID 129062117
Methyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate
CID 130438620
[2-(Difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate
CID 131997571
Ethyl 2-(acetyloxymethyl)-3-(fluoromethoxycarbonyloxy)-2-methylpropanoate
CID 140810163
Methyl 2-(acetyloxymethyl)-3-(2,2-difluoro-2-fluorooxyethoxy)carbonyloxy-2-methylpropanoate
CID 140840025
Methyl 3-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methyl-3-(1,1,2-trifluoroethoxy)-2-[[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]methyl]propanoate
CID 141458087
Propionic acid, 3,3-diethoxy-2,2-dimethyl-, ethyl ester
CID 518338

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate?
The IUPAC name of 2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate (CID 58502647) is 2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate.
What is the SMILES notation for 2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate?
The canonical SMILES for 2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate is CCOCOCCOC(=O)C(C)(C)COC(F)CF.
What is the InChIKey of 2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate?
The InChIKey is RKQSQKUEQDQQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O5/c1-4-16-9-17-5-6-18-11(15)12(2,3)8-19-10(14)7-13/h10H,4-9H2,1-3H3.
What are the key properties of 2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate?
2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate has a molecular weight of 284.30 g/mol, XLogP of 1.85, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethoxy)ethyl 3-(1,2-difluoroethoxy)-2,2-dimethylpropanoate is sourced from PubChem (CID 58502647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).