(1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole

C24H20F3N — CID 138984913

IUPAC(1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole
SMILESFC(F)(F)C1=N[C@](CCCc2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H20F3N/c25-24(26,27)22-20-15-7-8-16-21(20)23(28-22,19-13-5-2-6-14-19)17-9-12-18-10-3-1-4-11-18/h1-8,10-11,13-16H,9,12,17H2/t23-/m1/s1
InChIKeyOBFYFDPDLHCMGS-HSZRJFAPSA-N
MW379.43 g/mol
LogP6.32
Rot. Bonds5

About (1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole

(1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole (PubChem CID 138984913) has the molecular formula C24H20F3N and a molecular weight of 379.43 g/mol. Its IUPAC name is (1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole.

Molecular Properties

Compound Name(1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole
PubChem CID138984913
Molecular FormulaC24H20F3N
Molecular Weight379.43 g/mol
Exact Mass379.15
IUPAC Name(1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole
SMILESFC(F)(F)C1=N[C@](CCCc2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H20F3N/c25-24(26,27)22-20-15-7-8-16-21(20)23(28-22,19-13-5-2-6-14-19)17-9-12-18-10-3-1-4-11-18/h1-8,10-11,13-16H,9,12,17H2/t23-/m1/s1
InChIKeyOBFYFDPDLHCMGS-HSZRJFAPSA-N
XLogP6.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole?
The IUPAC name of (1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole (CID 138984913) is (1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole.
What is the SMILES notation for (1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole?
The canonical SMILES for (1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole is FC(F)(F)C1=N[C@](CCCc2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of (1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole?
The InChIKey is OBFYFDPDLHCMGS-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H20F3N/c25-24(26,27)22-20-15-7-8-16-21(20)23(28-22,19-13-5-2-6-14-19)17-9-12-18-10-3-1-4-11-18/h1-8,10-11,13-16H,9,12,17H2/t23-/m1/s1.
What are the key properties of (1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole?
(1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole has a molecular weight of 379.43 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole is sourced from PubChem (CID 138984913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).