N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide

C11H18F6N2O4 — CID 88856967

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(=O)NCCOCCOCCN
InChIInChI=1S/C11H18F6N2O4/c1-9(12,13)11(16,17)23-10(14,15)8(20)19-3-5-22-7-6-21-4-2-18/h2-7,18H2,1H3,(H,19,20)
InChIKeyJUFAQEPWFQNDRL-UHFFFAOYSA-N
MW356.26 g/mol
LogP0.95
Rot. Bonds12

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide (PubChem CID 88856967) has the molecular formula C11H18F6N2O4 and a molecular weight of 356.26 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide
PubChem CID88856967
Molecular FormulaC11H18F6N2O4
Molecular Weight356.26 g/mol
Exact Mass356.12
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(=O)NCCOCCOCCN
InChIInChI=1S/C11H18F6N2O4/c1-9(12,13)11(16,17)23-10(14,15)8(20)19-3-5-22-7-6-21-4-2-18/h2-7,18H2,1H3,(H,19,20)
InChIKeyJUFAQEPWFQNDRL-UHFFFAOYSA-N
XLogP0.95
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide (CID 88856967) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide is CC(F)(F)C(F)(F)OC(F)(F)C(=O)NCCOCCOCCN.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide?
The InChIKey is JUFAQEPWFQNDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6N2O4/c1-9(12,13)11(16,17)23-10(14,15)8(20)19-3-5-22-7-6-21-4-2-18/h2-7,18H2,1H3,(H,19,20).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide has a molecular weight of 356.26 g/mol, XLogP of 0.95, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 88856967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).