3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid

C14H26F3NO7 — CID 130449399

IUPAC3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid
SMILESCOCCOCCOCCOCCOC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H25NO5.C2HF3O2/c1-14-2-3-15-4-5-16-6-7-17-8-9-18-12-10-13-11-12;3-2(4,5)1(6)7/h12-13H,2-11H2,1H3;(H,6,7)
InChIKeySXIRAFCBMCCKEY-UHFFFAOYSA-N
MW377.36 g/mol
LogP0.30
Rot. Bonds13

About 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid

3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid (PubChem CID 130449399) has the molecular formula C14H26F3NO7 and a molecular weight of 377.36 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid
PubChem CID130449399
Molecular FormulaC14H26F3NO7
Molecular Weight377.36 g/mol
Exact Mass377.17
IUPAC Name3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid
SMILESCOCCOCCOCCOCCOC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H25NO5.C2HF3O2/c1-14-2-3-15-4-5-16-6-7-17-8-9-18-12-10-13-11-12;3-2(4,5)1(6)7/h12-13H,2-11H2,1H3;(H,6,7)
InChIKeySXIRAFCBMCCKEY-UHFFFAOYSA-N
XLogP0.30
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
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 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid (CID 130449399) is 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid is COCCOCCOCCOCCOC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid?
The InChIKey is SXIRAFCBMCCKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5.C2HF3O2/c1-14-2-3-15-4-5-16-6-7-17-8-9-18-12-10-13-11-12;3-2(4,5)1(6)7/h12-13H,2-11H2,1H3;(H,6,7).
What are the key properties of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid?
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid has a molecular weight of 377.36 g/mol, XLogP of 0.30, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]azetidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 130449399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).