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

C11H11F4N — CID 70259591

IUPAC7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccc(F)cc2C1C(F)(F)F
InChIInChI=1S/C11H11F4N/c1-16-5-4-7-2-3-8(12)6-9(7)10(16)11(13,14)15/h2-3,6,10H,4-5H2,1H3
InChIKeyJXZWGRPTDNLSBJ-UHFFFAOYSA-N
MW233.21 g/mol
LogP2.92
Rot. Bonds

About 7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline

7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 70259591) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is 7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID70259591
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccc(F)cc2C1C(F)(F)F
InChIInChI=1S/C11H11F4N/c1-16-5-4-7-2-3-8(12)6-9(7)10(16)11(13,14)15/h2-3,6,10H,4-5H2,1H3
InChIKeyJXZWGRPTDNLSBJ-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 135177655
7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 170910361
7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 86959190
(6aS,12bR)-2-fluoro-6-methyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridine-10,11-diol
CID 139760150
10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
CID 46212848
2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropanoic acid
CID 116995782
3-fluoro-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934544
CID 158124284
CID 158124284
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
(6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 19686
(1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline
CID 102162097
2-(2,5-difluorophenyl)-1-methylazetidine
CID 68991011

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline (CID 70259591) is 7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline is CN1CCc2ccc(F)cc2C1C(F)(F)F.
What is the InChIKey of 7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is JXZWGRPTDNLSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c1-16-5-4-7-2-3-8(12)6-9(7)10(16)11(13,14)15/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline?
7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 233.21 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 70259591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).