2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate

C15H27F3O5 — CID 58502651

IUPAC2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate
SMILESCCOCOCCOC(=O)C(C)(C)COC(CF)C(F)(F)CC
InChIInChI=1S/C15H27F3O5/c1-5-15(17,18)12(9-16)23-10-14(3,4)13(19)22-8-7-21-11-20-6-2/h12H,5-11H2,1-4H3
InChIKeyZKFGFFBROTWGJA-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.97
Rot. Bonds13

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

2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate (PubChem CID 58502651) has the molecular formula C15H27F3O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate.

Molecular Properties

Compound Name2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate
PubChem CID58502651
Molecular FormulaC15H27F3O5
Molecular Weight344.37 g/mol
Exact Mass344.18
IUPAC Name2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate
SMILESCCOCOCCOC(=O)C(C)(C)COC(CF)C(F)(F)CC
InChIInChI=1S/C15H27F3O5/c1-5-15(17,18)12(9-16)23-10-14(3,4)13(19)22-8-7-21-11-20-6-2/h12H,5-11H2,1-4H3
InChIKeyZKFGFFBROTWGJA-UHFFFAOYSA-N
XLogP2.97
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.97
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate?
The IUPAC name of 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate (CID 58502651) is 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate.
What is the SMILES notation for 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate?
The canonical SMILES for 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate is CCOCOCCOC(=O)C(C)(C)COC(CF)C(F)(F)CC.
What is the InChIKey of 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate?
The InChIKey is ZKFGFFBROTWGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3O5/c1-5-15(17,18)12(9-16)23-10-14(3,4)13(19)22-8-7-21-11-20-6-2/h12H,5-11H2,1-4H3.
What are the key properties of 2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate?
2-(ethoxymethoxy)ethyl 2,2-dimethyl-3-(1,3,3-trifluoropentan-2-yloxy)propanoate has a molecular weight of 344.37 g/mol, XLogP of 2.97, 13 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-(1,3,3-trifluoropentan-2-yloxy)propanoate is sourced from PubChem (CID 58502651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).