2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid

C14H28F3NO7 — CID 175688444

IUPAC2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid
SMILESCN(C)CCOCCOCCOCCOCCO.O=C(O)C(F)(F)F
InChIInChI=1S/C12H27NO5.C2HF3O2/c1-13(2)3-5-15-7-9-17-11-12-18-10-8-16-6-4-14;3-2(4,5)1(6)7/h14H,3-12H2,1-2H3;(H,6,7)
InChIKeyUDGITHQKIJMBHR-UHFFFAOYSA-N
MW379.37 g/mol
LogP0.24
Rot. Bonds14

About 2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid

2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid (PubChem CID 175688444) has the molecular formula C14H28F3NO7 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid
PubChem CID175688444
Molecular FormulaC14H28F3NO7
Molecular Weight379.37 g/mol
Exact Mass379.18
IUPAC Name2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid
SMILESCN(C)CCOCCOCCOCCOCCO.O=C(O)C(F)(F)F
InChIInChI=1S/C12H27NO5.C2HF3O2/c1-13(2)3-5-15-7-9-17-11-12-18-10-8-16-6-4-14;3-2(4,5)1(6)7/h14H,3-12H2,1-2H3;(H,6,7)
InChIKeyUDGITHQKIJMBHR-UHFFFAOYSA-N
XLogP0.24
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 50.24
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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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154730088
2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 89226278
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]ethanol
CID 61072006
N,N-dimethylacetamide;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 175584179
N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 118626568
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid
CID 126503687
2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
CID 62821128
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
2-[2-[2-[amino(methyl)amino]ethoxy]ethoxy]ethanol
CID 87109457
N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;ethane
CID 176933448

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid (CID 175688444) is 2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid is CN(C)CCOCCOCCOCCOCCO.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is UDGITHQKIJMBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO5.C2HF3O2/c1-13(2)3-5-15-7-9-17-11-12-18-10-8-16-6-4-14;3-2(4,5)1(6)7/h14H,3-12H2,1-2H3;(H,6,7).
What are the key properties of 2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid?
2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 379.37 g/mol, XLogP of 0.24, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175688444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).