N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine

C9H15F3N2 — CID 114410667

IUPACN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCN1CC=CCC1
InChIInChI=1S/C9H15F3N2/c10-9(11,12)8-13-4-7-14-5-2-1-3-6-14/h1-2,13H,3-8H2
InChIKeyPOCHDYQUMQIXDE-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.40
Rot. Bonds4

About N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine

N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 114410667) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID114410667
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC NameN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCN1CC=CCC1
InChIInChI=1S/C9H15F3N2/c10-9(11,12)8-13-4-7-14-5-2-1-3-6-14/h1-2,13H,3-8H2
InChIKeyPOCHDYQUMQIXDE-UHFFFAOYSA-N
XLogP1.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine 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-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine (CID 114410667) is N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCCN1CC=CCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is POCHDYQUMQIXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c10-9(11,12)8-13-4-7-14-5-2-1-3-6-14/h1-2,13H,3-8H2.
What are the key properties of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 208.23 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114410667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).