[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid

C13H15F3N2O2 — CID 22394216

IUPAC[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid
SMILESCCC1CC(NC(=O)O)c2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C13H15F3N2O2/c1-2-8-6-11(18-12(19)20)9-5-7(13(14,15)16)3-4-10(9)17-8/h3-5,8,11,17-18H,2,6H2,1H3,(H,19,20)
InChIKeyDWSUJYKBJGJJEB-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.61
Rot. Bonds2

About [2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid

[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid (PubChem CID 22394216) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is [2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid.

Molecular Properties

Compound Name[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid
PubChem CID22394216
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid
SMILESCCC1CC(NC(=O)O)c2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C13H15F3N2O2/c1-2-8-6-11(18-12(19)20)9-5-7(13(14,15)16)3-4-10(9)17-8/h3-5,8,11,17-18H,2,6H2,1H3,(H,19,20)
InChIKeyDWSUJYKBJGJJEB-UHFFFAOYSA-N
XLogP3.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid 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-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid?
The IUPAC name of [2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid (CID 22394216) is [2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid.
What is the SMILES notation for [2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid?
The canonical SMILES for [2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid is CCC1CC(NC(=O)O)c2cc(C(F)(F)F)ccc2N1.
What is the InChIKey of [2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid?
The InChIKey is DWSUJYKBJGJJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-2-8-6-11(18-12(19)20)9-5-7(13(14,15)16)3-4-10(9)17-8/h3-5,8,11,17-18H,2,6H2,1H3,(H,19,20).
What are the key properties of [2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid?
[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid has a molecular weight of 288.27 g/mol, XLogP of 3.61, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid is sourced from PubChem (CID 22394216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).