8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one

C11H10F3NO — CID 138977623

IUPAC8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1c(C(F)(F)F)ccc2c1C(=O)NCC2
InChIInChI=1S/C11H10F3NO/c1-6-8(11(12,13)14)3-2-7-4-5-15-10(16)9(6)7/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyIDIZSIIYNODOAZ-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.30
Rot. Bonds

About 8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one

8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 138977623) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID138977623
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1c(C(F)(F)F)ccc2c1C(=O)NCC2
InChIInChI=1S/C11H10F3NO/c1-6-8(11(12,13)14)3-2-7-4-5-15-10(16)9(6)7/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyIDIZSIIYNODOAZ-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one (CID 138977623) is 8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one is Cc1c(C(F)(F)F)ccc2c1C(=O)NCC2.
What is the InChIKey of 8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is IDIZSIIYNODOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-6-8(11(12,13)14)3-2-7-4-5-15-10(16)9(6)7/h2-3H,4-5H2,1H3,(H,15,16).
What are the key properties of 8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one?
8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 229.20 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 138977623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).