3-aminononyl 2,2,2-trifluoroacetate

C11H20F3NO2 — CID 174567455

IUPAC3-aminononyl 2,2,2-trifluoroacetate
SMILESCCCCCCC(N)CCOC(=O)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-2-3-4-5-6-9(15)7-8-17-10(16)11(12,13)14/h9H,2-8,15H2,1H3
InChIKeySDSQVYWJIGTUEQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.78
Rot. Bonds8

About 3-aminononyl 2,2,2-trifluoroacetate

3-aminononyl 2,2,2-trifluoroacetate (PubChem CID 174567455) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-aminononyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name3-aminononyl 2,2,2-trifluoroacetate
PubChem CID174567455
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name3-aminononyl 2,2,2-trifluoroacetate
SMILESCCCCCCC(N)CCOC(=O)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-2-3-4-5-6-9(15)7-8-17-10(16)11(12,13)14/h9H,2-8,15H2,1H3
InChIKeySDSQVYWJIGTUEQ-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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Related Compounds

[(2S,3R)-2-aminooctadecan-3-yl] 2,2,2-trifluoroacetate
CID 10199866
3-Aminohexyl 2,2,2-trifluoroacetate
CID 57114674
4,7-Diaminoheptyl 2,2,3,3,3-pentafluoropropanoate
CID 87299929
4,7-Diaminoheptyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 87300323
4,7-Diaminoheptyl 2,2,2-trifluoroacetate
CID 87766230
[(5R)-5-aminohexyl] 2,2,2-trifluoroacetate
CID 88924333
1-Aminooctyl 2,2,2-trifluoroacetate
CID 92035733
2,2-Difluoro-3-aminododecanoic acid methyl ester
CID 101045440
5-Aminohexyl 2,2,2-trifluoroacetate
CID 123153600
2-Aminononyl 2,2,2-trifluoroacetate
CID 154996435
6-Aminoheptyl 2,2,2-trifluoroacetate
CID 156220299
3-Aminodecyl 2,2,2-trifluoroacetate
CID 166756975

Frequently Asked Questions

What is the IUPAC name of 3-aminononyl 2,2,2-trifluoroacetate?
The IUPAC name of 3-aminononyl 2,2,2-trifluoroacetate (CID 174567455) is 3-aminononyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 3-aminononyl 2,2,2-trifluoroacetate?
The canonical SMILES for 3-aminononyl 2,2,2-trifluoroacetate is CCCCCCC(N)CCOC(=O)C(F)(F)F.
What is the InChIKey of 3-aminononyl 2,2,2-trifluoroacetate?
The InChIKey is SDSQVYWJIGTUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-2-3-4-5-6-9(15)7-8-17-10(16)11(12,13)14/h9H,2-8,15H2,1H3.
What are the key properties of 3-aminononyl 2,2,2-trifluoroacetate?
3-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 3-aminononyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 174567455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).