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

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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).