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

C21H16F3N — CID 139231280

IUPAC2-[4-phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
SMILESFC(F)(F)c1cc(-c2ccccc2)ccc1N1Cc2ccccc2C1
InChIInChI=1S/C21H16F3N/c22-21(23,24)19-12-16(15-6-2-1-3-7-15)10-11-20(19)25-13-17-8-4-5-9-18(17)14-25/h1-12H,13-14H2
InChIKeyRKAHXADIHZZZAG-UHFFFAOYSA-N
MW339.36 g/mol
LogP5.89
Rot. Bonds2

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

2-[4-phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole (PubChem CID 139231280) has the molecular formula C21H16F3N and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[4-phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[4-phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
PubChem CID139231280
Molecular FormulaC21H16F3N
Molecular Weight339.36 g/mol
Exact Mass339.12
IUPAC Name2-[4-phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
SMILESFC(F)(F)c1cc(-c2ccccc2)ccc1N1Cc2ccccc2C1
InChIInChI=1S/C21H16F3N/c22-21(23,24)19-12-16(15-6-2-1-3-7-15)10-11-20(19)25-13-17-8-4-5-9-18(17)14-25/h1-12H,13-14H2
InChIKeyRKAHXADIHZZZAG-UHFFFAOYSA-N
XLogP5.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.36
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[4-phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole (CID 139231280) is 2-[4-phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[4-phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[4-phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole is FC(F)(F)c1cc(-c2ccccc2)ccc1N1Cc2ccccc2C1.
What is the InChIKey of 2-[4-phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
The InChIKey is RKAHXADIHZZZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N/c22-21(23,24)19-12-16(15-6-2-1-3-7-15)10-11-20(19)25-13-17-8-4-5-9-18(17)14-25/h1-12H,13-14H2.
What are the key properties of 2-[4-phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole?
2-[4-phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole has a molecular weight of 339.36 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-2-(trifluoromethyl)phenyl]-1,3-dihydroisoindole is sourced from PubChem (CID 139231280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).