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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Related Compounds

5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole
CID 3879014
5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 4984250
5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
CID 3533032
5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole
CID 5037732
5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole
CID 3872880
2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 5187034
5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 5176220
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
8-tert-butyl-4-(2,5-difluorophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 143069918
2-(2,5-difluorophenyl)-7-ethyl-2,3-dihydro-1H-indole
CID 5023223
2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole
CID 105395861
2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine
CID 82579139

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).