5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C9H10Cl2FN — CID 119057080

IUPAC5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Fc1cc(Cl)c2c(c1)CNCC2
InChIInChI=1S/C9H9ClFN.ClH/c10-9-4-7(11)3-6-5-12-2-1-8(6)9;/h3-4,12H,1-2,5H2;1H
InChIKeyVYGIOWNRCSWSKE-UHFFFAOYSA-N
MW222.09 g/mol
LogP2.55
Rot. Bonds

About 5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride

5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 119057080) has the molecular formula C9H10Cl2FN and a molecular weight of 222.09 g/mol. Its IUPAC name is 5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID119057080
Molecular FormulaC9H10Cl2FN
Molecular Weight222.09 g/mol
Exact Mass221.02
IUPAC Name5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Fc1cc(Cl)c2c(c1)CNCC2
InChIInChI=1S/C9H9ClFN.ClH/c10-9-4-7(11)3-6-5-12-2-1-8(6)9;/h3-4,12H,1-2,5H2;1H
InChIKeyVYGIOWNRCSWSKE-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride 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 5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 119057080) is 5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cl.Fc1cc(Cl)c2c(c1)CNCC2.
What is the InChIKey of 5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is VYGIOWNRCSWSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN.ClH/c10-9-4-7(11)3-6-5-12-2-1-8(6)9;/h3-4,12H,1-2,5H2;1H.
What are the key properties of 5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 222.09 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 119057080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).