4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride

C12H15ClF3N — CID 71303219

IUPAC4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride
SMILESCC1(C)CNCc2ccc(C(F)(F)F)cc21.Cl
InChIInChI=1S/C12H14F3N.ClH/c1-11(2)7-16-6-8-3-4-9(5-10(8)11)12(13,14)15;/h3-5,16H,6-7H2,1-2H3;1H
InChIKeySBTZLZWNQGCSGI-UHFFFAOYSA-N
MW265.71 g/mol
LogP3.51
Rot. Bonds

About 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride

4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 71303219) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride
PubChem CID71303219
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride
SMILESCC1(C)CNCc2ccc(C(F)(F)F)cc21.Cl
InChIInChI=1S/C12H14F3N.ClH/c1-11(2)7-16-6-8-3-4-9(5-10(8)11)12(13,14)15;/h3-5,16H,6-7H2,1-2H3;1H
InChIKeySBTZLZWNQGCSGI-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
CID 76848698
4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
CID 105486439
3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol
CID 103863134
4,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-2,3-dihydro-1H-isoquinoline-6-carboxamide
CID 135211826
4,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1H-isoquinoline
CID 138530647
3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydropyrrolo[2,3-b]pyridine
CID 138737728
7-methyl-4-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 68524778
N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine
CID 166138523
[2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium
CID 177136482
4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine
CID 58117497
ethane;2-methyl-6-(trifluoromethyl)-3H-indole
CID 144710550
3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one
CID 19066385

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride (CID 71303219) is 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride is CC1(C)CNCc2ccc(C(F)(F)F)cc21.Cl.
What is the InChIKey of 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is SBTZLZWNQGCSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N.ClH/c1-11(2)7-16-6-8-3-4-9(5-10(8)11)12(13,14)15;/h3-5,16H,6-7H2,1-2H3;1H.
What are the key properties of 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride?
4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 265.71 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 71303219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).