4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline

C11H10F3N — CID 12507580

IUPAC4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline
SMILESCC1CN=C(C(F)(F)F)c2ccccc21
InChIInChI=1S/C11H10F3N/c1-7-6-15-10(11(12,13)14)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
InChIKeyLGMYGUXWGALJDL-UHFFFAOYSA-N
MW213.20 g/mol
LogP3.16
Rot. Bonds

About 4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline

4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline (PubChem CID 12507580) has the molecular formula C11H10F3N and a molecular weight of 213.20 g/mol. Its IUPAC name is 4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline
PubChem CID12507580
Molecular FormulaC11H10F3N
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline
SMILESCC1CN=C(C(F)(F)F)c2ccccc21
InChIInChI=1S/C11H10F3N/c1-7-6-15-10(11(12,13)14)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
InChIKeyLGMYGUXWGALJDL-UHFFFAOYSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 13067250
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
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CID 177034363
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CID 118593677
dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline (CID 12507580) is 4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline is CC1CN=C(C(F)(F)F)c2ccccc21.
What is the InChIKey of 4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline?
The InChIKey is LGMYGUXWGALJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N/c1-7-6-15-10(11(12,13)14)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3.
What are the key properties of 4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline?
4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline has a molecular weight of 213.20 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 12507580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).