4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

C17H16F3N — CID 5184611

IUPAC4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESCc1ccc(C)c2c1CC(c1ccccc1C(F)(F)F)N2
InChIInChI=1S/C17H16F3N/c1-10-7-8-11(2)16-13(10)9-15(21-16)12-5-3-4-6-14(12)17(18,19)20/h3-8,15,21H,9H2,1-2H3
InChIKeyLPWSDXAWLWAOEE-UHFFFAOYSA-N
MW291.32 g/mol
LogP5.03
Rot. Bonds1

About 4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (PubChem CID 5184611) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
PubChem CID5184611
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESCc1ccc(C)c2c1CC(c1ccccc1C(F)(F)F)N2
InChIInChI=1S/C17H16F3N/c1-10-7-8-11(2)16-13(10)9-15(21-16)12-5-3-4-6-14(12)17(18,19)20/h3-8,15,21H,9H2,1-2H3
InChIKeyLPWSDXAWLWAOEE-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.32
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The IUPAC name of 4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (CID 5184611) is 4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is Cc1ccc(C)c2c1CC(c1ccccc1C(F)(F)F)N2.
What is the InChIKey of 4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The InChIKey is LPWSDXAWLWAOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c1-10-7-8-11(2)16-13(10)9-15(21-16)12-5-3-4-6-14(12)17(18,19)20/h3-8,15,21H,9H2,1-2H3.
What are the key properties of 4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole has a molecular weight of 291.32 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 5184611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).