N-(2,2,2-trifluoroethoxy)undecan-6-amine

C13H26F3NO — CID 82711096

IUPACN-(2,2,2-trifluoroethoxy)undecan-6-amine
SMILESCCCCCC(CCCCC)NOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-3-5-7-9-12(10-8-6-4-2)17-18-11-13(14,15)16/h12,17H,3-11H2,1-2H3
InChIKeyYEFMJRJMZCTPNC-UHFFFAOYSA-N
MW269.35 g/mol
LogP4.60
Rot. Bonds11

About N-(2,2,2-trifluoroethoxy)undecan-6-amine

N-(2,2,2-trifluoroethoxy)undecan-6-amine (PubChem CID 82711096) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)undecan-6-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)undecan-6-amine
PubChem CID82711096
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC NameN-(2,2,2-trifluoroethoxy)undecan-6-amine
SMILESCCCCCC(CCCCC)NOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-3-5-7-9-12(10-8-6-4-2)17-18-11-13(14,15)16/h12,17H,3-11H2,1-2H3
InChIKeyYEFMJRJMZCTPNC-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
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)undecan-6-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)undecan-6-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)undecan-6-amine (CID 82711096) is N-(2,2,2-trifluoroethoxy)undecan-6-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)undecan-6-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)undecan-6-amine is CCCCCC(CCCCC)NOCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)undecan-6-amine?
The InChIKey is YEFMJRJMZCTPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-3-5-7-9-12(10-8-6-4-2)17-18-11-13(14,15)16/h12,17H,3-11H2,1-2H3.
What are the key properties of N-(2,2,2-trifluoroethoxy)undecan-6-amine?
N-(2,2,2-trifluoroethoxy)undecan-6-amine has a molecular weight of 269.35 g/mol, XLogP of 4.60, 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-trifluoroethoxy)undecan-6-amine is sourced from PubChem (CID 82711096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).