1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline

C11H10F3N — CID 58416409

IUPAC1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline
SMILESCC1=NCCc2c1cccc2C(F)(F)F
InChIInChI=1S/C11H10F3N/c1-7-8-3-2-4-10(11(12,13)14)9(8)5-6-15-7/h2-4H,5-6H2,1H3
InChIKeyASOPMMWEGRZTME-UHFFFAOYSA-N
MW213.20 g/mol
LogP3.07
Rot. Bonds

About 1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline

1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline (PubChem CID 58416409) has the molecular formula C11H10F3N and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline
PubChem CID58416409
Molecular FormulaC11H10F3N
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline
SMILESCC1=NCCc2c1cccc2C(F)(F)F
InChIInChI=1S/C11H10F3N/c1-7-8-3-2-4-10(11(12,13)14)9(8)5-6-15-7/h2-4H,5-6H2,1H3
InChIKeyASOPMMWEGRZTME-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(trifluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 169495028
1-methyl-3,4-dihydroisoquinoline tetrafluoroborate
CID 174929053
6-tert-butyl-4-[2-fluoro-6-(trifluoromethyl)phenyl]-2,3-dihydropyridine
CID 118484631
4-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 126626843
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
6-butyl-4-[2-(trifluoromethyl)phenyl]-2,3-dihydropyridine
CID 174904999
5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 162620911
1,2,3,4,5-pentafluoro-6-[2-methyl-3-(trifluoromethyl)phenyl]benzene
CID 134620901
1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
CID 134626767
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
N,N-dipropyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15908435
1-methyl-4-(trifluoromethyl)-3H-indol-2-one
CID 57380795

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline (CID 58416409) is 1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline is CC1=NCCc2c1cccc2C(F)(F)F.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline?
The InChIKey is ASOPMMWEGRZTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N/c1-7-8-3-2-4-10(11(12,13)14)9(8)5-6-15-7/h2-4H,5-6H2,1H3.
What are the key properties of 1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline?
1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline has a molecular weight of 213.20 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 58416409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).