(1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline

C11H12F3N — CID 99779575

IUPAC(1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
SMILESC[C@@]1(C(F)(F)F)NCCc2ccccc21
InChIInChI=1S/C11H12F3N/c1-10(11(12,13)14)9-5-3-2-4-8(9)6-7-15-10/h2-5,15H,6-7H2,1H3/t10-/m1/s1
InChIKeyHZKBHOOJCXSPRR-SNVBAGLBSA-N
MW215.22 g/mol
LogP2.61
Rot. Bonds

About (1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline

(1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline (PubChem CID 99779575) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is (1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline.

Molecular Properties

Compound Name(1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
PubChem CID99779575
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name(1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
SMILESC[C@@]1(C(F)(F)F)NCCc2ccccc21
InChIInChI=1S/C11H12F3N/c1-10(11(12,13)14)9-5-3-2-4-8(9)6-7-15-10/h2-5,15H,6-7H2,1H3/t10-/m1/s1
InChIKeyHZKBHOOJCXSPRR-SNVBAGLBSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 67224173
1-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline
CID 86105368
(1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 10220811
7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 178118507
1,1-dimethoxy-3,4-dihydro-2H-isoquinoline
CID 66811083
1-(difluoromethyl)-1-fluoro-3,4-dihydro-2H-isoquinoline
CID 172771527
spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
CID 91557907
1,1-diphenyl-3,4-dihydro-2H-isoquinoline
CID 59396601
1-methylsulfanyl-1-phenyl-3,4-dihydro-2H-isoquinoline
CID 141431344
(1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol
CID 155312725
5-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine
CID 141149010
2,3,4,5-tetrahydro-2-benzazepine-1,1-diol
CID 151467018

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline?
The IUPAC name of (1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline (CID 99779575) is (1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline.
What is the SMILES notation for (1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline?
The canonical SMILES for (1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline is C[C@@]1(C(F)(F)F)NCCc2ccccc21.
What is the InChIKey of (1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline?
The InChIKey is HZKBHOOJCXSPRR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12F3N/c1-10(11(12,13)14)9-5-3-2-4-8(9)6-7-15-10/h2-5,15H,6-7H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline?
(1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline has a molecular weight of 215.22 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline is sourced from PubChem (CID 99779575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).