5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole

C18H19F2N — CID 3893012

IUPAC5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole
SMILESCC(C)(C)c1ccc2c(c1)CC(c1cc(F)ccc1F)N2
InChIInChI=1S/C18H19F2N/c1-18(2,3)12-4-7-16-11(8-12)9-17(21-16)14-10-13(19)5-6-15(14)20/h4-8,10,17,21H,9H2,1-3H3
InChIKeyXDJUWWGZILOZGC-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.97
Rot. Bonds1

About 5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole

5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole (PubChem CID 3893012) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole
PubChem CID3893012
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole
SMILESCC(C)(C)c1ccc2c(c1)CC(c1cc(F)ccc1F)N2
InChIInChI=1S/C18H19F2N/c1-18(2,3)12-4-7-16-11(8-12)9-17(21-16)14-10-13(19)5-6-15(14)20/h4-8,10,17,21H,9H2,1-3H3
InChIKeyXDJUWWGZILOZGC-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.97
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-(2,5-difluorophenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole (CID 3893012) is 5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole is CC(C)(C)c1ccc2c(c1)CC(c1cc(F)ccc1F)N2.
What is the InChIKey of 5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole?
The InChIKey is XDJUWWGZILOZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-18(2,3)12-4-7-16-11(8-12)9-17(21-16)14-10-13(19)5-6-15(14)20/h4-8,10,17,21H,9H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole?
5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole has a molecular weight of 287.35 g/mol, XLogP of 4.97, 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-(2,5-difluorophenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3893012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).