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

C9H10F8N2O2 — CID 648167

IUPAC2,2,3,3-tetrafluoro-N-[3-(2,2,3,3-tetrafluoropropanoylamino)propyl]propanamide
SMILESO=C(NCCCNC(=O)C(F)(F)C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C9H10F8N2O2/c10-4(11)8(14,15)6(20)18-2-1-3-19-7(21)9(16,17)5(12)13/h4-5H,1-3H2,(H,18,20)(H,19,21)
InChIKeyHQOVLDVKWYLXLQ-UHFFFAOYSA-N
MW330.18 g/mol
LogP1.41
Rot. Bonds8

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

2,2,3,3-tetrafluoro-N-[3-(2,2,3,3-tetrafluoropropanoylamino)propyl]propanamide (PubChem CID 648167) has the molecular formula C9H10F8N2O2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[3-(2,2,3,3-tetrafluoropropanoylamino)propyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[3-(2,2,3,3-tetrafluoropropanoylamino)propyl]propanamide
PubChem CID648167
Molecular FormulaC9H10F8N2O2
Molecular Weight330.18 g/mol
Exact Mass330.06
IUPAC Name2,2,3,3-tetrafluoro-N-[3-(2,2,3,3-tetrafluoropropanoylamino)propyl]propanamide
SMILESO=C(NCCCNC(=O)C(F)(F)C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C9H10F8N2O2/c10-4(11)8(14,15)6(20)18-2-1-3-19-7(21)9(16,17)5(12)13/h4-5H,1-3H2,(H,18,20)(H,19,21)
InChIKeyHQOVLDVKWYLXLQ-UHFFFAOYSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2,2,3,3-tetrafluoro-N-[3-(2,2,3,3-tetrafluoropropanoylamino)propyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[3-(2,2,3,3-tetrafluoropropanoylamino)propyl]propanamide (CID 648167) is 2,2,3,3-tetrafluoro-N-[3-(2,2,3,3-tetrafluoropropanoylamino)propyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[3-(2,2,3,3-tetrafluoropropanoylamino)propyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[3-(2,2,3,3-tetrafluoropropanoylamino)propyl]propanamide is O=C(NCCCNC(=O)C(F)(F)C(F)F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[3-(2,2,3,3-tetrafluoropropanoylamino)propyl]propanamide?
The InChIKey is HQOVLDVKWYLXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8N2O2/c10-4(11)8(14,15)6(20)18-2-1-3-19-7(21)9(16,17)5(12)13/h4-5H,1-3H2,(H,18,20)(H,19,21).
What are the key properties of 2,2,3,3-tetrafluoro-N-[3-(2,2,3,3-tetrafluoropropanoylamino)propyl]propanamide?
2,2,3,3-tetrafluoro-N-[3-(2,2,3,3-tetrafluoropropanoylamino)propyl]propanamide has a molecular weight of 330.18 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[3-(2,2,3,3-tetrafluoropropanoylamino)propyl]propanamide is sourced from PubChem (CID 648167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).