5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

C19H20F3N — CID 4984250

IUPAC5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESCC(C)(C)c1ccc2c(c1)CC(c1ccc(C(F)(F)F)cc1)N2
InChIInChI=1S/C19H20F3N/c1-18(2,3)15-8-9-16-13(10-15)11-17(23-16)12-4-6-14(7-5-12)19(20,21)22/h4-10,17,23H,11H2,1-3H3
InChIKeyWLFNZYZYWIUWTH-UHFFFAOYSA-N
MW319.37 g/mol
LogP5.71
Rot. Bonds1

About 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole

5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (PubChem CID 4984250) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
PubChem CID4984250
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
SMILESCC(C)(C)c1ccc2c(c1)CC(c1ccc(C(F)(F)F)cc1)N2
InChIInChI=1S/C19H20F3N/c1-18(2,3)15-8-9-16-13(10-15)11-17(23-16)12-4-6-14(7-5-12)19(20,21)22/h4-10,17,23H,11H2,1-3H3
InChIKeyWLFNZYZYWIUWTH-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.37
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The IUPAC name of 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole (CID 4984250) is 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is CC(C)(C)c1ccc2c(c1)CC(c1ccc(C(F)(F)F)cc1)N2.
What is the InChIKey of 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
The InChIKey is WLFNZYZYWIUWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N/c1-18(2,3)15-8-9-16-13(10-15)11-17(23-16)12-4-6-14(7-5-12)19(20,21)22/h4-10,17,23H,11H2,1-3H3.
What are the key properties of 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole?
5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole has a molecular weight of 319.37 g/mol, XLogP of 5.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 4984250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).