N-(2,2,2-trifluoroethoxy)nonan-2-amine

C11H22F3NO — CID 82710880

IUPACN-(2,2,2-trifluoroethoxy)nonan-2-amine
SMILESCCCCCCCC(C)NOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-4-5-6-7-8-10(2)15-16-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyKUCZEQGXAGCGFF-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.82
Rot. Bonds9

About N-(2,2,2-trifluoroethoxy)nonan-2-amine

N-(2,2,2-trifluoroethoxy)nonan-2-amine (PubChem CID 82710880) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)nonan-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)nonan-2-amine
PubChem CID82710880
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-(2,2,2-trifluoroethoxy)nonan-2-amine
SMILESCCCCCCCC(C)NOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-4-5-6-7-8-10(2)15-16-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyKUCZEQGXAGCGFF-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2,2-trifluoroethoxy)nonan-2-amine 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 N-(2,2,2-trifluoroethoxy)nonan-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)nonan-2-amine (CID 82710880) is N-(2,2,2-trifluoroethoxy)nonan-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)nonan-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)nonan-2-amine is CCCCCCCC(C)NOCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)nonan-2-amine?
The InChIKey is KUCZEQGXAGCGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-4-5-6-7-8-10(2)15-16-9-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of N-(2,2,2-trifluoroethoxy)nonan-2-amine?
N-(2,2,2-trifluoroethoxy)nonan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)nonan-2-amine is sourced from PubChem (CID 82710880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).