methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride

C12H15ClFNO2 — CID 170918020

IUPACmethyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(F)c2c1CCNC2C.Cl
InChIInChI=1S/C12H14FNO2.ClH/c1-7-11-8(5-6-14-7)9(12(15)16-2)3-4-10(11)13;/h3-4,7,14H,5-6H2,1-2H3;1H
InChIKeyUUZYKKGKAOBOES-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.24
Rot. Bonds1

About methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride

methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride (PubChem CID 170918020) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride
PubChem CID170918020
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Namemethyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(F)c2c1CCNC2C.Cl
InChIInChI=1S/C12H14FNO2.ClH/c1-7-11-8(5-6-14-7)9(12(15)16-2)3-4-10(11)13;/h3-4,7,14H,5-6H2,1-2H3;1H
InChIKeyUUZYKKGKAOBOES-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride?
The IUPAC name of methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride (CID 170918020) is methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride is COC(=O)c1ccc(F)c2c1CCNC2C.Cl.
What is the InChIKey of methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride?
The InChIKey is UUZYKKGKAOBOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2.ClH/c1-7-11-8(5-6-14-7)9(12(15)16-2)3-4-10(11)13;/h3-4,7,14H,5-6H2,1-2H3;1H.
What are the key properties of methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride?
methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride has a molecular weight of 259.71 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride is sourced from PubChem (CID 170918020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).