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

C29H54F6N2O13 — CID 88856969

IUPACN-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C29H54F6N2O13/c1-27(30,31)29(34,35)50-28(32,33)26(38)37-3-5-40-7-9-42-11-13-44-15-17-46-19-21-48-23-25-49-24-22-47-20-18-45-16-14-43-12-10-41-8-6-39-4-2-36/h2-25,36H2,1H3,(H,37,38)
InChIKeyWRAAPLBRTOSDKU-UHFFFAOYSA-N
MW752.74 g/mol
LogP1.10
Rot. Bonds39

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

N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide (PubChem CID 88856969) has the molecular formula C29H54F6N2O13 and a molecular weight of 752.74 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide
PubChem CID88856969
Molecular FormulaC29H54F6N2O13
Molecular Weight752.74 g/mol
Exact Mass752.35
IUPAC NameN-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C29H54F6N2O13/c1-27(30,31)29(34,35)50-28(32,33)26(38)37-3-5-40-7-9-42-11-13-44-15-17-46-19-21-48-23-25-49-24-22-47-20-18-45-16-14-43-12-10-41-8-6-39-4-2-36/h2-25,36H2,1H3,(H,37,38)
InChIKeyWRAAPLBRTOSDKU-UHFFFAOYSA-N
XLogP1.10
TPSA165.88 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds39
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.74
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide (CID 88856969) is N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide is CC(F)(F)C(F)(F)OC(F)(F)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide?
The InChIKey is WRAAPLBRTOSDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54F6N2O13/c1-27(30,31)29(34,35)50-28(32,33)26(38)37-3-5-40-7-9-42-11-13-44-15-17-46-19-21-48-23-25-49-24-22-47-20-18-45-16-14-43-12-10-41-8-6-39-4-2-36/h2-25,36H2,1H3,(H,37,38).
What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide?
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide has a molecular weight of 752.74 g/mol, XLogP of 1.10, 39 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 88856969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).