2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate

C10H10F8N2O4 — CID 91721220

IUPAC2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
SMILESNC(=O)CCC(NC(=O)C(F)(F)F)C(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F8N2O4/c11-8(12,10(16,17)18)3-24-6(22)4(1-2-5(19)21)20-7(23)9(13,14)15/h4H,1-3H2,(H2,19,21)(H,20,23)
InChIKeyHHVFRVCGLBJKGR-UHFFFAOYSA-N
MW374.18 g/mol
LogP1.04
Rot. Bonds7

About 2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate

2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate (PubChem CID 91721220) has the molecular formula C10H10F8N2O4 and a molecular weight of 374.18 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
PubChem CID91721220
Molecular FormulaC10H10F8N2O4
Molecular Weight374.18 g/mol
Exact Mass374.05
IUPAC Name2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
SMILESNC(=O)CCC(NC(=O)C(F)(F)F)C(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F8N2O4/c11-8(12,10(16,17)18)3-24-6(22)4(1-2-5(19)21)20-7(23)9(13,14)15/h4H,1-3H2,(H2,19,21)(H,20,23)
InChIKeyHHVFRVCGLBJKGR-UHFFFAOYSA-N
XLogP1.04
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 51.04
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 2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate (CID 91721220) is 2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate is NC(=O)CCC(NC(=O)C(F)(F)F)C(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate?
The InChIKey is HHVFRVCGLBJKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F8N2O4/c11-8(12,10(16,17)18)3-24-6(22)4(1-2-5(19)21)20-7(23)9(13,14)15/h4H,1-3H2,(H2,19,21)(H,20,23).
What are the key properties of 2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate?
2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate has a molecular weight of 374.18 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate is sourced from PubChem (CID 91721220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).