2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline

C11H12F3N — CID 59534446

IUPAC2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cccc(C(F)(F)F)c2C1
InChIInChI=1S/C11H12F3N/c1-15-6-5-8-3-2-4-10(9(8)7-15)11(12,13)14/h2-4H,5-7H2,1H3
InChIKeyQFHKVOCKBLSMBJ-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.69
Rot. Bonds

About 2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline

2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 59534446) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID59534446
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cccc(C(F)(F)F)c2C1
InChIInChI=1S/C11H12F3N/c1-15-6-5-8-3-2-4-10(9(8)7-15)11(12,13)14/h2-4H,5-7H2,1H3
InChIKeyQFHKVOCKBLSMBJ-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-propan-2-yl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 123148647
4-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 126626843
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 146136574
2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524548
2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-ol
CID 105474711
1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine
CID 84771640
8-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 155242264
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine
CID 84793990
2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine
CID 84778035
2,8-ditert-butyl-3,4-dihydro-1H-isoquinoline;ethane
CID 162223831

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline (CID 59534446) is 2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline is CN1CCc2cccc(C(F)(F)F)c2C1.
What is the InChIKey of 2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is QFHKVOCKBLSMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-15-6-5-8-3-2-4-10(9(8)7-15)11(12,13)14/h2-4H,5-7H2,1H3.
What are the key properties of 2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline?
2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 215.22 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 59534446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).