2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide

C18H26F8N2O5 — CID 159652093

IUPAC2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-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)CCCCCCNC(C)=O
InChIInChI=1S/C18H26F8N2O5/c1-4-28(5-2)14(31)16(21,22)33-18(25,26)17(23,24)32-15(19,20)13(30)10-8-6-7-9-11-27-12(3)29/h4-11H2,1-3H3,(H,27,29)
InChIKeyNOKYCQRDYFUVIB-UHFFFAOYSA-N
MW502.40 g/mol
LogP3.91
Rot. Bonds16

About 2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide

2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide (PubChem CID 159652093) has the molecular formula C18H26F8N2O5 and a molecular weight of 502.40 g/mol. Its IUPAC name is 2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide
PubChem CID159652093
Molecular FormulaC18H26F8N2O5
Molecular Weight502.40 g/mol
Exact Mass502.17
IUPAC Name2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-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)CCCCCCNC(C)=O
InChIInChI=1S/C18H26F8N2O5/c1-4-28(5-2)14(31)16(21,22)33-18(25,26)17(23,24)32-15(19,20)13(30)10-8-6-7-9-11-27-12(3)29/h4-11H2,1-3H3,(H,27,29)
InChIKeyNOKYCQRDYFUVIB-UHFFFAOYSA-N
XLogP3.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
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 2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide?
The IUPAC name of 2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide (CID 159652093) is 2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide.
What is the SMILES notation for 2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide?
The canonical SMILES for 2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-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)CCCCCCNC(C)=O.
What is the InChIKey of 2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide?
The InChIKey is NOKYCQRDYFUVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F8N2O5/c1-4-28(5-2)14(31)16(21,22)33-18(25,26)17(23,24)32-15(19,20)13(30)10-8-6-7-9-11-27-12(3)29/h4-11H2,1-3H3,(H,27,29).
What are the key properties of 2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide?
2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide has a molecular weight of 502.40 g/mol, XLogP of 3.91, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-acetamido-1,1-difluoro-2-oxooctoxy)-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide is sourced from PubChem (CID 159652093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).