2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide

C12H16F8N2O4 — CID 88856956

IUPAC2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide
SMILESCCCNC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)NCCC
InChIInChI=1S/C12H16F8N2O4/c1-3-5-21-7(23)9(13,14)25-11(17,18)12(19,20)26-10(15,16)8(24)22-6-4-2/h3-6H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAFPDGTLAWQYZGU-UHFFFAOYSA-N
MW404.25 g/mol
LogP2.44
Rot. Bonds11

About 2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide

2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide (PubChem CID 88856956) has the molecular formula C12H16F8N2O4 and a molecular weight of 404.25 g/mol. Its IUPAC name is 2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide
PubChem CID88856956
Molecular FormulaC12H16F8N2O4
Molecular Weight404.25 g/mol
Exact Mass404.10
IUPAC Name2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide
SMILESCCCNC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)NCCC
InChIInChI=1S/C12H16F8N2O4/c1-3-5-21-7(23)9(13,14)25-11(17,18)12(19,20)26-10(15,16)8(24)22-6-4-2/h3-6H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAFPDGTLAWQYZGU-UHFFFAOYSA-N
XLogP2.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide?
The IUPAC name of 2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide (CID 88856956) is 2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide.
What is the SMILES notation for 2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide?
The canonical SMILES for 2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide is CCCNC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)NCCC.
What is the InChIKey of 2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide?
The InChIKey is AFPDGTLAWQYZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F8N2O4/c1-3-5-21-7(23)9(13,14)25-11(17,18)12(19,20)26-10(15,16)8(24)22-6-4-2/h3-6H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide?
2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide has a molecular weight of 404.25 g/mol, XLogP of 2.44, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1,1-difluoro-2-oxo-2-(propylamino)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-propylacetamide is sourced from PubChem (CID 88856956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).