2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole

C18H18F3N — CID 70841149

IUPAC2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
SMILESCC(C)c1ccc(N2Cc3ccccc3C2)cc1C(F)(F)F
InChIInChI=1S/C18H18F3N/c1-12(2)16-8-7-15(9-17(16)18(19,20)21)22-10-13-5-3-4-6-14(13)11-22/h3-9,12H,10-11H2,1-2H3
InChIKeyBWQMROPWWSKILE-UHFFFAOYSA-N
MW305.34 g/mol
LogP5.35
Rot. Bonds2

About 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole

2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole (PubChem CID 70841149) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
PubChem CID70841149
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC Name2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
SMILESCC(C)c1ccc(N2Cc3ccccc3C2)cc1C(F)(F)F
InChIInChI=1S/C18H18F3N/c1-12(2)16-8-7-15(9-17(16)18(19,20)21)22-10-13-5-3-4-6-14(13)11-22/h3-9,12H,10-11H2,1-2H3
InChIKeyBWQMROPWWSKILE-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.34
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole (CID 70841149) is 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole is CC(C)c1ccc(N2Cc3ccccc3C2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
The InChIKey is BWQMROPWWSKILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N/c1-12(2)16-8-7-15(9-17(16)18(19,20)21)22-10-13-5-3-4-6-14(13)11-22/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole has a molecular weight of 305.34 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole is sourced from PubChem (CID 70841149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).