methyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C15H26F3NO7 — CID 121378971

IUPACmethyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCOC(=O)CCOCCOCCOCCOCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C15H26F3NO7/c1-19(14(21)15(16,17)18)4-6-24-8-10-26-12-11-25-9-7-23-5-3-13(20)22-2/h3-12H2,1-2H3
InChIKeyKCFKDNAFEVVXBB-UHFFFAOYSA-N
MW389.37 g/mol
LogP0.64
Rot. Bonds15

About methyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

methyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 121378971) has the molecular formula C15H26F3NO7 and a molecular weight of 389.37 g/mol. Its IUPAC name is methyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
PubChem CID121378971
Molecular FormulaC15H26F3NO7
Molecular Weight389.37 g/mol
Exact Mass389.17
IUPAC Namemethyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCOC(=O)CCOCCOCCOCCOCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C15H26F3NO7/c1-19(14(21)15(16,17)18)4-6-24-8-10-26-12-11-25-9-7-23-5-3-13(20)22-2/h3-12H2,1-2H3
InChIKeyKCFKDNAFEVVXBB-UHFFFAOYSA-N
XLogP0.64
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of methyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 121378971) is methyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for methyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for methyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is COC(=O)CCOCCOCCOCCOCCN(C)C(=O)C(F)(F)F.
What is the InChIKey of methyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The InChIKey is KCFKDNAFEVVXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO7/c1-19(14(21)15(16,17)18)4-6-24-8-10-26-12-11-25-9-7-23-5-3-13(20)22-2/h3-12H2,1-2H3.
What are the key properties of methyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
methyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 389.37 g/mol, XLogP of 0.64, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 121378971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).