N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine

C9H15F3N2O — CID 79503615

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESFC(F)(F)COCCNC1=NCCCC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)7-15-6-5-14-8-3-1-2-4-13-8/h1-7H2,(H,13,14)
InChIKeyBFYQNFTVHIZUJK-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.74
Rot. Bonds4

About N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79503615) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79503615
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESFC(F)(F)COCCNC1=NCCCC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)7-15-6-5-14-8-3-1-2-4-13-8/h1-7H2,(H,13,14)
InChIKeyBFYQNFTVHIZUJK-UHFFFAOYSA-N
XLogP1.74
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 79503615) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is FC(F)(F)COCCNC1=NCCCC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is BFYQNFTVHIZUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)7-15-6-5-14-8-3-1-2-4-13-8/h1-7H2,(H,13,14).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 224.23 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79503615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).