5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole

C10H9ClF3N — CID 156823016

IUPAC5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole
SMILESCN1Cc2cc(Cl)c(C(F)(F)F)cc2C1
InChIInChI=1S/C10H9ClF3N/c1-15-4-6-2-8(10(12,13)14)9(11)3-7(6)5-15/h2-3H,4-5H2,1H3
InChIKeyXPJOQYPNUWDANY-UHFFFAOYSA-N
MW235.64 g/mol
LogP3.30
Rot. Bonds

About 5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole

5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole (PubChem CID 156823016) has the molecular formula C10H9ClF3N and a molecular weight of 235.64 g/mol. Its IUPAC name is 5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole
PubChem CID156823016
Molecular FormulaC10H9ClF3N
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole
SMILESCN1Cc2cc(Cl)c(C(F)(F)F)cc2C1
InChIInChI=1S/C10H9ClF3N/c1-15-4-6-2-8(10(12,13)14)9(11)3-7(6)5-15/h2-3H,4-5H2,1H3
InChIKeyXPJOQYPNUWDANY-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole 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-chloro-2-methyl-1,3-dihydroisoindol-5-amine
CID 90105129
5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole
CID 168923965
5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole
CID 59274116
1-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]ethanone
CID 166705262
2-methyl-7-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine
CID 146506428
2,4-dichloro-5-(trifluoromethyl)benzenethiol
CID 121234788
5-chloro-6-(trifluoromethyl)-2-benzofuran
CID 91137003
(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-3-azabicyclo[3.1.0]hexane
CID 90096987
[4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine
CID 156702121
(1S,5R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 68947336
1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 126243563
5-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-formamido-N-methyl-5-oxopentanamide;1-methylimidazole
CID 156822956

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole?
The IUPAC name of 5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole (CID 156823016) is 5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole.
What is the SMILES notation for 5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole?
The canonical SMILES for 5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole is CN1Cc2cc(Cl)c(C(F)(F)F)cc2C1.
What is the InChIKey of 5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole?
The InChIKey is XPJOQYPNUWDANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N/c1-15-4-6-2-8(10(12,13)14)9(11)3-7(6)5-15/h2-3H,4-5H2,1H3.
What are the key properties of 5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole?
5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole has a molecular weight of 235.64 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole is sourced from PubChem (CID 156823016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).