(1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C11H14ClF2N — CID 178029828

IUPAC(1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESC[C@@H]1NCCc2cc(C(F)F)ccc21.Cl
InChIInChI=1S/C11H13F2N.ClH/c1-7-10-3-2-9(11(12)13)6-8(10)4-5-14-7;/h2-3,6-7,11,14H,4-5H2,1H3;1H/t7-;/m0./s1
InChIKeyUTIFOFKVQAJLSE-FJXQXJEOSA-N
MW233.69 g/mol
LogP3.25
Rot. Bonds1

About (1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

(1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 178029828) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is (1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name(1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID178029828
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name(1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESC[C@@H]1NCCc2cc(C(F)F)ccc21.Cl
InChIInChI=1S/C11H13F2N.ClH/c1-7-10-3-2-9(11(12)13)6-8(10)4-5-14-7;/h2-3,6-7,11,14H,4-5H2,1H3;1H/t7-;/m0./s1
InChIKeyUTIFOFKVQAJLSE-FJXQXJEOSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 96980969
(1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline
CID 130741278
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CID 130607773
1-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CID 83963307
3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol
CID 164531538
(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94365199
2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol
CID 83956538
1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 84655716
6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 167716546
7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 84667322
N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine
CID 105479508
7-propan-2-yl-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 176701985

Frequently Asked Questions

What is the IUPAC name of (1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of (1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 178029828) is (1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for (1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for (1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is C[C@@H]1NCCc2cc(C(F)F)ccc21.Cl.
What is the InChIKey of (1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is UTIFOFKVQAJLSE-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H13F2N.ClH/c1-7-10-3-2-9(11(12)13)6-8(10)4-5-14-7;/h2-3,6-7,11,14H,4-5H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
(1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 178029828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).