8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline

C16H14F3NO — CID 106778906

IUPAC8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)Oc1cccc(-c2cccc3c2NCCC3)c1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)21-13-7-1-5-12(10-13)14-8-2-4-11-6-3-9-20-15(11)14/h1-2,4-5,7-8,10,20H,3,6,9H2
InChIKeyPXQSEWCZEVJDKQ-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.61
Rot. Bonds2

About 8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline

8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106778906) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106778906
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)Oc1cccc(-c2cccc3c2NCCC3)c1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)21-13-7-1-5-12(10-13)14-8-2-4-11-6-3-9-20-15(11)14/h1-2,4-5,7-8,10,20H,3,6,9H2
InChIKeyPXQSEWCZEVJDKQ-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline 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-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline (CID 106778906) is 8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline is FC(F)(F)Oc1cccc(-c2cccc3c2NCCC3)c1.
What is the InChIKey of 8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is PXQSEWCZEVJDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)21-13-7-1-5-12(10-13)14-8-2-4-11-6-3-9-20-15(11)14/h1-2,4-5,7-8,10,20H,3,6,9H2.
What are the key properties of 8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 293.29 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106778906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).