6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline

C15H14FN — CID 119030248

IUPAC6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccc2c(c1)C(c1ccccc1)CNC2
InChIInChI=1S/C15H14FN/c16-13-7-6-12-9-17-10-15(14(12)8-13)11-4-2-1-3-5-11/h1-8,15,17H,9-10H2
InChIKeyRCRLIGYIKWSFDA-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.06
Rot. Bonds1

About 6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline

6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 119030248) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is 6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID119030248
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccc2c(c1)C(c1ccccc1)CNC2
InChIInChI=1S/C15H14FN/c16-13-7-6-12-9-17-10-15(14(12)8-13)11-4-2-1-3-5-11/h1-8,15,17H,9-10H2
InChIKeyRCRLIGYIKWSFDA-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline 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 6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 119030248) is 6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline is Fc1ccc2c(c1)C(c1ccccc1)CNC2.
What is the InChIKey of 6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RCRLIGYIKWSFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN/c16-13-7-6-12-9-17-10-15(14(12)8-13)11-4-2-1-3-5-11/h1-8,15,17H,9-10H2.
What are the key properties of 6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline?
6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 227.28 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 119030248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).