2-aminononyl 2,2,2-trifluoroacetate

C11H20F3NO2 — CID 154996435

IUPAC2-aminononyl 2,2,2-trifluoroacetate
SMILESCCCCCCCC(N)COC(=O)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-2-3-4-5-6-7-9(15)8-17-10(16)11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyYINKZYQMVGLIPI-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.78
Rot. Bonds8

About 2-aminononyl 2,2,2-trifluoroacetate

2-aminononyl 2,2,2-trifluoroacetate (PubChem CID 154996435) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-aminononyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-aminononyl 2,2,2-trifluoroacetate
PubChem CID154996435
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-aminononyl 2,2,2-trifluoroacetate
SMILESCCCCCCCC(N)COC(=O)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-2-3-4-5-6-7-9(15)8-17-10(16)11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyYINKZYQMVGLIPI-UHFFFAOYSA-N
XLogP2.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-aminononyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-aminononyl 2,2,2-trifluoroacetate (CID 154996435) is 2-aminononyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-aminononyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-aminononyl 2,2,2-trifluoroacetate is CCCCCCCC(N)COC(=O)C(F)(F)F.
What is the InChIKey of 2-aminononyl 2,2,2-trifluoroacetate?
The InChIKey is YINKZYQMVGLIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-2-3-4-5-6-7-9(15)8-17-10(16)11(12,13)14/h9H,2-8,15H2,1H3.
What are the key properties of 2-aminononyl 2,2,2-trifluoroacetate?
2-aminononyl 2,2,2-trifluoroacetate has a molecular weight of 255.28 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminononyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 154996435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).