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

C10H12Cl2FN — CID 167716546

IUPAC6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCC1NCCc2c1ccc(Cl)c2F.Cl
InChIInChI=1S/C10H11ClFN.ClH/c1-6-7-2-3-9(11)10(12)8(7)4-5-13-6;/h2-3,6,13H,4-5H2,1H3;1H
InChIKeyYDKDFHRESHFWIN-UHFFFAOYSA-N
MW236.12 g/mol
LogP3.11
Rot. Bonds

About 6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 167716546) has the molecular formula C10H12Cl2FN and a molecular weight of 236.12 g/mol. Its IUPAC name is 6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID167716546
Molecular FormulaC10H12Cl2FN
Molecular Weight236.12 g/mol
Exact Mass235.03
IUPAC Name6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCC1NCCc2c1ccc(Cl)c2F.Cl
InChIInChI=1S/C10H11ClFN.ClH/c1-6-7-2-3-9(11)10(12)8(7)4-5-13-6;/h2-3,6,13H,4-5H2,1H3;1H
InChIKeyYDKDFHRESHFWIN-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 167716546) is 6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is CC1NCCc2c1ccc(Cl)c2F.Cl.
What is the InChIKey of 6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is YDKDFHRESHFWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN.ClH/c1-6-7-2-3-9(11)10(12)8(7)4-5-13-6;/h2-3,6,13H,4-5H2,1H3;1H.
What are the key properties of 6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 236.12 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 167716546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).