2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine

C13H26F3NO — CID 62723303

IUPAC2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
SMILESCCCCC(CC)(CN)CCCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-3-5-7-12(4-2,10-17)8-6-9-18-11-13(14,15)16/h3-11,17H2,1-2H3
InChIKeyPTHSRZXVHRJDCP-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.89
Rot. Bonds10

About 2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine

2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine (PubChem CID 62723303) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
PubChem CID62723303
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
SMILESCCCCC(CC)(CN)CCCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-3-5-7-12(4-2,10-17)8-6-9-18-11-13(14,15)16/h3-11,17H2,1-2H3
InChIKeyPTHSRZXVHRJDCP-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-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 2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine?
The IUPAC name of 2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine (CID 62723303) is 2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine is CCCCC(CC)(CN)CCCOCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine?
The InChIKey is PTHSRZXVHRJDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-3-5-7-12(4-2,10-17)8-6-9-18-11-13(14,15)16/h3-11,17H2,1-2H3.
What are the key properties of 2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine?
2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine is sourced from PubChem (CID 62723303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).