N-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine

C13H26F3NO — CID 63827475

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine
SMILESCCCCCCCC(C)NCCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-3-4-5-6-7-8-12(2)17-9-10-18-11-13(14,15)16/h12,17H,3-11H2,1-2H3
InChIKeyAEJBCGQCQDIGNN-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.90
Rot. Bonds11

About N-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine (PubChem CID 63827475) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine
PubChem CID63827475
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine
SMILESCCCCCCCC(C)NCCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-3-4-5-6-7-8-12(2)17-9-10-18-11-13(14,15)16/h12,17H,3-11H2,1-2H3
InChIKeyAEJBCGQCQDIGNN-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine (CID 63827475) is N-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine is CCCCCCCC(C)NCCOCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine?
The InChIKey is AEJBCGQCQDIGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-3-4-5-6-7-8-12(2)17-9-10-18-11-13(14,15)16/h12,17H,3-11H2,1-2H3.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine has a molecular weight of 269.35 g/mol, XLogP of 3.90, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine is sourced from PubChem (CID 63827475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).