2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide

C12H16F8N2O4 — CID 59874137

IUPAC2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide
SMILESO=C(NCCOCCOCCNC(=O)C(F)C(F)(F)F)C(F)C(F)(F)F
InChIInChI=1S/C12H16F8N2O4/c13-7(11(15,16)17)9(23)21-1-3-25-5-6-26-4-2-22-10(24)8(14)12(18,19)20/h7-8H,1-6H2,(H,21,23)(H,22,24)
InChIKeyQUNZPVAKCVDGOI-UHFFFAOYSA-N
MW404.25 g/mol
LogP1.05
Rot. Bonds11

About 2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide

2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 59874137) has the molecular formula C12H16F8N2O4 and a molecular weight of 404.25 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide
PubChem CID59874137
Molecular FormulaC12H16F8N2O4
Molecular Weight404.25 g/mol
Exact Mass404.10
IUPAC Name2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide
SMILESO=C(NCCOCCOCCNC(=O)C(F)C(F)(F)F)C(F)C(F)(F)F
InChIInChI=1S/C12H16F8N2O4/c13-7(11(15,16)17)9(23)21-1-3-25-5-6-26-4-2-22-10(24)8(14)12(18,19)20/h7-8H,1-6H2,(H,21,23)(H,22,24)
InChIKeyQUNZPVAKCVDGOI-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide (CID 59874137) is 2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide is O=C(NCCOCCOCCNC(=O)C(F)C(F)(F)F)C(F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is QUNZPVAKCVDGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F8N2O4/c13-7(11(15,16)17)9(23)21-1-3-25-5-6-26-4-2-22-10(24)8(14)12(18,19)20/h7-8H,1-6H2,(H,21,23)(H,22,24).
What are the key properties of 2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide?
2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 404.25 g/mol, XLogP of 1.05, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 59874137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).