2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate

C13H22F4O5 — CID 58502650

IUPAC2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate
SMILESCCOCOCCOC(=O)C(C)(C)COC(F)C(F)(F)CF
InChIInChI=1S/C13H22F4O5/c1-4-19-9-20-5-6-21-11(18)12(2,3)8-22-10(15)13(16,17)7-14/h10H,4-9H2,1-3H3
InChIKeyAUOGSVWPOBLOMS-UHFFFAOYSA-N
MW334.31 g/mol
LogP2.48
Rot. Bonds12

About 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate

2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate (PubChem CID 58502650) has the molecular formula C13H22F4O5 and a molecular weight of 334.31 g/mol. Its IUPAC name is 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate.

Molecular Properties

Compound Name2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate
PubChem CID58502650
Molecular FormulaC13H22F4O5
Molecular Weight334.31 g/mol
Exact Mass334.14
IUPAC Name2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate
SMILESCCOCOCCOC(=O)C(C)(C)COC(F)C(F)(F)CF
InChIInChI=1S/C13H22F4O5/c1-4-19-9-20-5-6-21-11(18)12(2,3)8-22-10(15)13(16,17)7-14/h10H,4-9H2,1-3H3
InChIKeyAUOGSVWPOBLOMS-UHFFFAOYSA-N
XLogP2.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 52.48
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 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate?
The IUPAC name of 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate (CID 58502650) is 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate.
What is the SMILES notation for 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate?
The canonical SMILES for 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate is CCOCOCCOC(=O)C(C)(C)COC(F)C(F)(F)CF.
What is the InChIKey of 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate?
The InChIKey is AUOGSVWPOBLOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F4O5/c1-4-19-9-20-5-6-21-11(18)12(2,3)8-22-10(15)13(16,17)7-14/h10H,4-9H2,1-3H3.
What are the key properties of 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate?
2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate has a molecular weight of 334.31 g/mol, XLogP of 2.48, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,2,2,3-tetrafluoropropoxy)propanoate is sourced from PubChem (CID 58502650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).