9-aminoundecyl 2,2,2-trifluoroacetate

C13H24F3NO2 — CID 175071528

IUPAC9-aminoundecyl 2,2,2-trifluoroacetate
SMILESCCC(N)CCCCCCCCOC(=O)C(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-2-11(17)9-7-5-3-4-6-8-10-19-12(18)13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyHOKSHYQTAPFBLY-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.56
Rot. Bonds10

About 9-aminoundecyl 2,2,2-trifluoroacetate

9-aminoundecyl 2,2,2-trifluoroacetate (PubChem CID 175071528) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 9-aminoundecyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name9-aminoundecyl 2,2,2-trifluoroacetate
PubChem CID175071528
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name9-aminoundecyl 2,2,2-trifluoroacetate
SMILESCCC(N)CCCCCCCCOC(=O)C(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-2-11(17)9-7-5-3-4-6-8-10-19-12(18)13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyHOKSHYQTAPFBLY-UHFFFAOYSA-N
XLogP3.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-aminoundecyl 2,2,2-trifluoroacetate 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 9-aminoundecyl 2,2,2-trifluoroacetate?
The IUPAC name of 9-aminoundecyl 2,2,2-trifluoroacetate (CID 175071528) is 9-aminoundecyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 9-aminoundecyl 2,2,2-trifluoroacetate?
The canonical SMILES for 9-aminoundecyl 2,2,2-trifluoroacetate is CCC(N)CCCCCCCCOC(=O)C(F)(F)F.
What is the InChIKey of 9-aminoundecyl 2,2,2-trifluoroacetate?
The InChIKey is HOKSHYQTAPFBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-2-11(17)9-7-5-3-4-6-8-10-19-12(18)13(14,15)16/h11H,2-10,17H2,1H3.
What are the key properties of 9-aminoundecyl 2,2,2-trifluoroacetate?
9-aminoundecyl 2,2,2-trifluoroacetate has a molecular weight of 283.33 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-aminoundecyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 175071528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).