2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide

C14H12F16N2O5 — CID 59157492

IUPAC2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide
SMILESO=C(NCCOCCNC(=O)C(F)(OC(F)(F)C(F)(F)F)C(F)(F)F)C(OC(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H12F16N2O5/c15-7(11(20,21)22)36-5(10(17,18)19)6(33)31-1-3-35-4-2-32-8(34)9(16,12(23,24)25)37-14(29,30)13(26,27)28/h5,7H,1-4H2,(H,31,33)(H,32,34)
InChIKeyYCPBFFSPIIAXQM-UHFFFAOYSA-N
MW592.23 g/mol
LogP3.44
Rot. Bonds12

About 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide

2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide (PubChem CID 59157492) has the molecular formula C14H12F16N2O5 and a molecular weight of 592.23 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide
PubChem CID59157492
Molecular FormulaC14H12F16N2O5
Molecular Weight592.23 g/mol
Exact Mass592.05
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide
SMILESO=C(NCCOCCNC(=O)C(F)(OC(F)(F)C(F)(F)F)C(F)(F)F)C(OC(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H12F16N2O5/c15-7(11(20,21)22)36-5(10(17,18)19)6(33)31-1-3-35-4-2-32-8(34)9(16,12(23,24)25)37-14(29,30)13(26,27)28/h5,7H,1-4H2,(H,31,33)(H,32,34)
InChIKeyYCPBFFSPIIAXQM-UHFFFAOYSA-N
XLogP3.44
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.23
LogP ≤ 53.44
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 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide (CID 59157492) is 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide is O=C(NCCOCCNC(=O)C(F)(OC(F)(F)C(F)(F)F)C(F)(F)F)C(OC(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide?
The InChIKey is YCPBFFSPIIAXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F16N2O5/c15-7(11(20,21)22)36-5(10(17,18)19)6(33)31-1-3-35-4-2-32-8(34)9(16,12(23,24)25)37-14(29,30)13(26,27)28/h5,7H,1-4H2,(H,31,33)(H,32,34).
What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide?
2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide has a molecular weight of 592.23 g/mol, XLogP of 3.44, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-[2-[[3,3,3-trifluoro-2-(1,2,2,2-tetrafluoroethoxy)propanoyl]amino]ethoxy]ethyl]propanamide is sourced from PubChem (CID 59157492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).