propyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate

C9H12F5NO3 — CID 91730517

IUPACpropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO3/c1-3-4-18-6(16)5-15(2)7(17)8(10,11)9(12,13)14/h3-5H2,1-2H3
InChIKeyQETYKYOJQVUYGB-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.60
Rot. Bonds5

About propyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate

propyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate (PubChem CID 91730517) has the molecular formula C9H12F5NO3 and a molecular weight of 277.19 g/mol. Its IUPAC name is propyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate.

Molecular Properties

Compound Namepropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
PubChem CID91730517
Molecular FormulaC9H12F5NO3
Molecular Weight277.19 g/mol
Exact Mass277.07
IUPAC Namepropyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO3/c1-3-4-18-6(16)5-15(2)7(17)8(10,11)9(12,13)14/h3-5H2,1-2H3
InChIKeyQETYKYOJQVUYGB-UHFFFAOYSA-N
XLogP1.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The IUPAC name of propyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate (CID 91730517) is propyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate.
What is the SMILES notation for propyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The canonical SMILES for propyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate is CCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of propyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The InChIKey is QETYKYOJQVUYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO3/c1-3-4-18-6(16)5-15(2)7(17)8(10,11)9(12,13)14/h3-5H2,1-2H3.
What are the key properties of propyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
propyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate has a molecular weight of 277.19 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate is sourced from PubChem (CID 91730517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).