[3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate

C18H26F6O7 — CID 163944980

IUPAC[3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
SMILESCOCCOC(=O)C(C)(COC(=O)C(C)(C)C(F)(F)F)COC(=O)C(C)(C)C(F)(F)F
InChIInChI=1S/C18H26F6O7/c1-14(2,17(19,20)21)11(25)30-9-16(5,13(27)29-8-7-28-6)10-31-12(26)15(3,4)18(22,23)24/h7-10H2,1-6H3
InChIKeyRUHRMPQRZPSAEP-UHFFFAOYSA-N
MW468.39 g/mol
LogP3.45
Rot. Bonds10

About [3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate

[3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate (PubChem CID 163944980) has the molecular formula C18H26F6O7 and a molecular weight of 468.39 g/mol. Its IUPAC name is [3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
PubChem CID163944980
Molecular FormulaC18H26F6O7
Molecular Weight468.39 g/mol
Exact Mass468.16
IUPAC Name[3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
SMILESCOCCOC(=O)C(C)(COC(=O)C(C)(C)C(F)(F)F)COC(=O)C(C)(C)C(F)(F)F
InChIInChI=1S/C18H26F6O7/c1-14(2,17(19,20)21)11(25)30-9-16(5,13(27)29-8-7-28-6)10-31-12(26)15(3,4)18(22,23)24/h7-10H2,1-6H3
InChIKeyRUHRMPQRZPSAEP-UHFFFAOYSA-N
XLogP3.45
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-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

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?
The IUPAC name of [3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate (CID 163944980) is [3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate.
What is the SMILES notation for [3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?
The canonical SMILES for [3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate is COCCOC(=O)C(C)(COC(=O)C(C)(C)C(F)(F)F)COC(=O)C(C)(C)C(F)(F)F.
What is the InChIKey of [3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?
The InChIKey is RUHRMPQRZPSAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F6O7/c1-14(2,17(19,20)21)11(25)30-9-16(5,13(27)29-8-7-28-6)10-31-12(26)15(3,4)18(22,23)24/h7-10H2,1-6H3.
What are the key properties of [3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?
[3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate has a molecular weight of 468.39 g/mol, XLogP of 3.45, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethoxy)-2-methyl-3-oxo-2-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)oxymethyl]propyl] 3,3,3-trifluoro-2,2-dimethylpropanoate is sourced from PubChem (CID 163944980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).