6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

C15H19BFNO2 — CID 56973262

IUPAC6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
SMILESCc1c(F)ccc2cc(B3OC(C)(C)C(C)(C)O3)[nH]c12
InChIInChI=1S/C15H19BFNO2/c1-9-11(17)7-6-10-8-12(18-13(9)10)16-19-14(2,3)15(4,5)20-16/h6-8,18H,1-5H3
InChIKeyYIFLCEFOGHVFPC-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.91
Rot. Bonds1

About 6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (PubChem CID 56973262) has the molecular formula C15H19BFNO2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

Molecular Properties

Compound Name6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
PubChem CID56973262
Molecular FormulaC15H19BFNO2
Molecular Weight275.13 g/mol
Exact Mass275.15
IUPAC Name6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
SMILESCc1c(F)ccc2cc(B3OC(C)(C)C(C)(C)O3)[nH]c12
InChIInChI=1S/C15H19BFNO2/c1-9-11(17)7-6-10-8-12(18-13(9)10)16-19-14(2,3)15(4,5)20-16/h6-8,18H,1-5H3
InChIKeyYIFLCEFOGHVFPC-UHFFFAOYSA-N
XLogP2.91
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?
The IUPAC name of 6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CID 56973262) is 6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.
What is the SMILES notation for 6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?
The canonical SMILES for 6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is Cc1c(F)ccc2cc(B3OC(C)(C)C(C)(C)O3)[nH]c12.
What is the InChIKey of 6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?
The InChIKey is YIFLCEFOGHVFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BFNO2/c1-9-11(17)7-6-10-8-12(18-13(9)10)16-19-14(2,3)15(4,5)20-16/h6-8,18H,1-5H3.
What are the key properties of 6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?
6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole has a molecular weight of 275.13 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is sourced from PubChem (CID 56973262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).