N-(2,2,2-trifluoroethoxy)cyclododecanamine

C14H26F3NO — CID 82711927

IUPACN-(2,2,2-trifluoroethoxy)cyclododecanamine
SMILESFC(F)(F)CONC1CCCCCCCCCCC1
InChIInChI=1S/C14H26F3NO/c15-14(16,17)12-19-18-13-10-8-6-4-2-1-3-5-7-9-11-13/h13,18H,1-12H2
InChIKeyUDEBRKWDZKQWEU-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.74
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)cyclododecanamine

N-(2,2,2-trifluoroethoxy)cyclododecanamine (PubChem CID 82711927) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)cyclododecanamine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)cyclododecanamine
PubChem CID82711927
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-(2,2,2-trifluoroethoxy)cyclododecanamine
SMILESFC(F)(F)CONC1CCCCCCCCCCC1
InChIInChI=1S/C14H26F3NO/c15-14(16,17)12-19-18-13-10-8-6-4-2-1-3-5-7-9-11-13/h13,18H,1-12H2
InChIKeyUDEBRKWDZKQWEU-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2,2-trifluoroethoxy)cyclododecanamine 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)cyclododecanamine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)cyclododecanamine (CID 82711927) is N-(2,2,2-trifluoroethoxy)cyclododecanamine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)cyclododecanamine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)cyclododecanamine is FC(F)(F)CONC1CCCCCCCCCCC1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)cyclododecanamine?
The InChIKey is UDEBRKWDZKQWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c15-14(16,17)12-19-18-13-10-8-6-4-2-1-3-5-7-9-11-13/h13,18H,1-12H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)cyclododecanamine?
N-(2,2,2-trifluoroethoxy)cyclododecanamine has a molecular weight of 281.36 g/mol, XLogP of 4.74, 3 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)cyclododecanamine is sourced from PubChem (CID 82711927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).