methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate

C11H12FNO2 — CID 138987651

IUPACmethyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
SMILESCOC(=O)c1cc(F)cc2c1CCNC2
InChIInChI=1S/C11H12FNO2/c1-15-11(14)10-5-8(12)4-7-6-13-3-2-9(7)10/h4-5,13H,2-3,6H2,1H3
InChIKeySKUOVMYIXOHOAR-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.26
Rot. Bonds1

About methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate

methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate (PubChem CID 138987651) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
PubChem CID138987651
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Namemethyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
SMILESCOC(=O)c1cc(F)cc2c1CCNC2
InChIInChI=1S/C11H12FNO2/c1-15-11(14)10-5-8(12)4-7-6-13-3-2-9(7)10/h4-5,13H,2-3,6H2,1H3
InChIKeySKUOVMYIXOHOAR-UHFFFAOYSA-N
XLogP1.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate 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 methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate?
The IUPAC name of methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate (CID 138987651) is methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate.
What is the SMILES notation for methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate?
The canonical SMILES for methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate is COC(=O)c1cc(F)cc2c1CCNC2.
What is the InChIKey of methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate?
The InChIKey is SKUOVMYIXOHOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-15-11(14)10-5-8(12)4-7-6-13-3-2-9(7)10/h4-5,13H,2-3,6H2,1H3.
What are the key properties of methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate?
methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate has a molecular weight of 209.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate is sourced from PubChem (CID 138987651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).