8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde

C11H10F3NO — CID 155316157

IUPAC8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde
SMILESO=CC1CCNc2c1cccc2C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)9-3-1-2-8-7(6-16)4-5-15-10(8)9/h1-3,6-7,15H,4-5H2
InChIKeyCIWJIFNSAMXYKX-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.80
Rot. Bonds1

About 8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde

8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde (PubChem CID 155316157) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde.

Molecular Properties

Compound Name8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde
PubChem CID155316157
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde
SMILESO=CC1CCNc2c1cccc2C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)9-3-1-2-8-7(6-16)4-5-15-10(8)9/h1-3,6-7,15H,4-5H2
InChIKeyCIWJIFNSAMXYKX-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde 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 8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde?
The IUPAC name of 8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde (CID 155316157) is 8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde.
What is the SMILES notation for 8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde?
The canonical SMILES for 8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde is O=CC1CCNc2c1cccc2C(F)(F)F.
What is the InChIKey of 8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde?
The InChIKey is CIWJIFNSAMXYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)9-3-1-2-8-7(6-16)4-5-15-10(8)9/h1-3,6-7,15H,4-5H2.
What are the key properties of 8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde?
8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde has a molecular weight of 229.20 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde is sourced from PubChem (CID 155316157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).