2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide

C38H65F8NO16 — CID 161440423

IUPAC2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide
SMILESCCN(CC)C(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(C)=O
InChIInChI=1S/C38H65F8NO16/c1-4-47(5-2)34(50)36(41,42)63-38(45,46)37(43,44)62-35(39,40)33(49)9-7-11-52-13-15-54-17-19-56-21-23-58-25-27-60-29-31-61-30-28-59-26-24-57-22-20-55-18-16-53-14-12-51-10-6-8-32(3)48/h4-31H2,1-3H3
InChIKeyVZEUKIOLJGXEMU-UHFFFAOYSA-N
MW943.91 g/mol
LogP4.16
Rot. Bonds47

About 2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide

2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide (PubChem CID 161440423) has the molecular formula C38H65F8NO16 and a molecular weight of 943.91 g/mol. Its IUPAC name is 2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide
PubChem CID161440423
Molecular FormulaC38H65F8NO16
Molecular Weight943.91 g/mol
Exact Mass943.42
IUPAC Name2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide
SMILESCCN(CC)C(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(C)=O
InChIInChI=1S/C38H65F8NO16/c1-4-47(5-2)34(50)36(41,42)63-38(45,46)37(43,44)62-35(39,40)33(49)9-7-11-52-13-15-54-17-19-56-21-23-58-25-27-60-29-31-61-30-28-59-26-24-57-22-20-55-18-16-53-14-12-51-10-6-8-32(3)48/h4-31H2,1-3H3
InChIKeyVZEUKIOLJGXEMU-UHFFFAOYSA-N
XLogP4.16
TPSA174.44 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds47
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.91
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide with MolForge

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Related Compounds

2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide
CID 159652093
5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one
CID 157126215
N-[2-[2-[2-(butanethioylamino)ethoxy]ethoxy]ethyl]-2-[2-[1,1-difluoro-2-oxo-5-[2-(4-sulfanylideneheptoxy)ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetamide
CID 161136273
1,1-difluoro-1-methoxy-5-propoxypentan-2-one
CID 162217486
6-(2,2,2-trifluoroethoxy)hexan-2-one
CID 43793499
7-hexoxyheptan-2-one
CID 122428493
6-[2-(2-propoxyethoxy)ethoxy]hexan-2-one
CID 58427327
4-nonoxybutan-2-one
CID 175477614
11-butoxyundecan-2-one
CID 175547866
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide
CID 174152105
N,N-diethyl-4-hexoxybutanamide
CID 176838101
2-[2-(4-oxopentoxy)ethoxy]acetamide
CID 122436040

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide?
The IUPAC name of 2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide (CID 161440423) is 2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide.
What is the SMILES notation for 2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide?
The canonical SMILES for 2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide is CCN(CC)C(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(C)=O.
What is the InChIKey of 2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide?
The InChIKey is VZEUKIOLJGXEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H65F8NO16/c1-4-47(5-2)34(50)36(41,42)63-38(45,46)37(43,44)62-35(39,40)33(49)9-7-11-52-13-15-54-17-19-56-21-23-58-25-27-60-29-31-61-30-28-59-26-24-57-22-20-55-18-16-53-14-12-51-10-6-8-32(3)48/h4-31H2,1-3H3.
What are the key properties of 2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide?
2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide has a molecular weight of 943.91 g/mol, XLogP of 4.16, 47 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1,1-difluoro-2-oxo-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide is sourced from PubChem (CID 161440423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).