2,6-ditert-butyl-1-(difluoromethyl)indole

C17H23F2N — CID 139475103

IUPAC2,6-ditert-butyl-1-(difluoromethyl)indole
SMILESCC(C)(C)c1ccc2cc(C(C)(C)C)n(C(F)F)c2c1
InChIInChI=1S/C17H23F2N/c1-16(2,3)12-8-7-11-9-14(17(4,5)6)20(15(18)19)13(11)10-12/h7-10,15H,1-6H3
InChIKeyWSYOBXBVLTWLFC-UHFFFAOYSA-N
MW279.37 g/mol
LogP5.63
Rot. Bonds1

About 2,6-ditert-butyl-1-(difluoromethyl)indole

2,6-ditert-butyl-1-(difluoromethyl)indole (PubChem CID 139475103) has the molecular formula C17H23F2N and a molecular weight of 279.37 g/mol. Its IUPAC name is 2,6-ditert-butyl-1-(difluoromethyl)indole.

Molecular Properties

Compound Name2,6-ditert-butyl-1-(difluoromethyl)indole
PubChem CID139475103
Molecular FormulaC17H23F2N
Molecular Weight279.37 g/mol
Exact Mass279.18
IUPAC Name2,6-ditert-butyl-1-(difluoromethyl)indole
SMILESCC(C)(C)c1ccc2cc(C(C)(C)C)n(C(F)F)c2c1
InChIInChI=1S/C17H23F2N/c1-16(2,3)12-8-7-11-9-14(17(4,5)6)20(15(18)19)13(11)10-12/h7-10,15H,1-6H3
InChIKeyWSYOBXBVLTWLFC-UHFFFAOYSA-N
XLogP5.63
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.37
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-ditert-butyl-1-ethenylindole
CID 153429567
2,6-ditert-butyl-1-cyclobutylindole
CID 153429566
6-tert-butyl-1-ethenyl-2-propan-2-ylindole
CID 139475210
2,6-ditert-butylanthracene
CID 15740416
2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine
CID 155403882
2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole
CID 155180694
3,9-ditert-butylisoindolo[2,1-a]quinoline
CID 159003286
2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine
CID 84631643
6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine
CID 132599814
CID 88965064
CID 88965064
6-tert-butyl-1,2-dimethylbenzimidazole
CID 70331345
2,6,9-tritert-butylcarbazole
CID 177113514

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-1-(difluoromethyl)indole?
The IUPAC name of 2,6-ditert-butyl-1-(difluoromethyl)indole (CID 139475103) is 2,6-ditert-butyl-1-(difluoromethyl)indole.
What is the SMILES notation for 2,6-ditert-butyl-1-(difluoromethyl)indole?
The canonical SMILES for 2,6-ditert-butyl-1-(difluoromethyl)indole is CC(C)(C)c1ccc2cc(C(C)(C)C)n(C(F)F)c2c1.
What is the InChIKey of 2,6-ditert-butyl-1-(difluoromethyl)indole?
The InChIKey is WSYOBXBVLTWLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N/c1-16(2,3)12-8-7-11-9-14(17(4,5)6)20(15(18)19)13(11)10-12/h7-10,15H,1-6H3.
What are the key properties of 2,6-ditert-butyl-1-(difluoromethyl)indole?
2,6-ditert-butyl-1-(difluoromethyl)indole has a molecular weight of 279.37 g/mol, XLogP of 5.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-1-(difluoromethyl)indole is sourced from PubChem (CID 139475103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).