N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide

C14H17F3N2O2 — CID 63828683

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESO=C(NCCOCC(F)(F)F)C1CCc2ccccc2N1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-21-8-7-18-13(20)12-6-5-10-3-1-2-4-11(10)19-12/h1-4,12,19H,5-9H2,(H,18,20)
InChIKeyDXIHQGIFAGGEPB-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.11
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide

N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 63828683) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID63828683
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESO=C(NCCOCC(F)(F)F)C1CCc2ccccc2N1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-21-8-7-18-13(20)12-6-5-10-3-1-2-4-11(10)19-12/h1-4,12,19H,5-9H2,(H,18,20)
InChIKeyDXIHQGIFAGGEPB-UHFFFAOYSA-N
XLogP2.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide 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-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 63828683) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide is O=C(NCCOCC(F)(F)F)C1CCc2ccccc2N1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is DXIHQGIFAGGEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)9-21-8-7-18-13(20)12-6-5-10-3-1-2-4-11(10)19-12/h1-4,12,19H,5-9H2,(H,18,20).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 63828683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).