2-tert-butyl-5-fluoro-7-methyl-1H-indole

C13H16FN — CID 65337961

IUPAC2-tert-butyl-5-fluoro-7-methyl-1H-indole
SMILESCc1cc(F)cc2cc(C(C)(C)C)[nH]c12
InChIInChI=1S/C13H16FN/c1-8-5-10(14)6-9-7-11(13(2,3)4)15-12(8)9/h5-7,15H,1-4H3
InChIKeyLMCUMOCEGDWZNO-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.91
Rot. Bonds

About 2-tert-butyl-5-fluoro-7-methyl-1H-indole

2-tert-butyl-5-fluoro-7-methyl-1H-indole (PubChem CID 65337961) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoro-7-methyl-1H-indole.

Molecular Properties

Compound Name2-tert-butyl-5-fluoro-7-methyl-1H-indole
PubChem CID65337961
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name2-tert-butyl-5-fluoro-7-methyl-1H-indole
SMILESCc1cc(F)cc2cc(C(C)(C)C)[nH]c12
InChIInChI=1S/C13H16FN/c1-8-5-10(14)6-9-7-11(13(2,3)4)15-12(8)9/h5-7,15H,1-4H3
InChIKeyLMCUMOCEGDWZNO-UHFFFAOYSA-N
XLogP3.91
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoro-7-methyl-1H-indole?
The IUPAC name of 2-tert-butyl-5-fluoro-7-methyl-1H-indole (CID 65337961) is 2-tert-butyl-5-fluoro-7-methyl-1H-indole.
What is the SMILES notation for 2-tert-butyl-5-fluoro-7-methyl-1H-indole?
The canonical SMILES for 2-tert-butyl-5-fluoro-7-methyl-1H-indole is Cc1cc(F)cc2cc(C(C)(C)C)[nH]c12.
What is the InChIKey of 2-tert-butyl-5-fluoro-7-methyl-1H-indole?
The InChIKey is LMCUMOCEGDWZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-8-5-10(14)6-9-7-11(13(2,3)4)15-12(8)9/h5-7,15H,1-4H3.
What are the key properties of 2-tert-butyl-5-fluoro-7-methyl-1H-indole?
2-tert-butyl-5-fluoro-7-methyl-1H-indole has a molecular weight of 205.28 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoro-7-methyl-1H-indole is sourced from PubChem (CID 65337961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).