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

C14H19BFNO2 — CID 70890034

IUPAC6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole
SMILESCC1(C)OB(c2cc(F)cc3c2CCN3)OC1(C)C
InChIInChI=1S/C14H19BFNO2/c1-13(2)14(3,4)19-15(18-13)11-7-9(16)8-12-10(11)5-6-17-12/h7-8,17H,5-6H2,1-4H3
InChIKeyYDTHTRQBAHFFCE-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.09
Rot. Bonds1

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

6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole (PubChem CID 70890034) has the molecular formula C14H19BFNO2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole
PubChem CID70890034
Molecular FormulaC14H19BFNO2
Molecular Weight263.12 g/mol
Exact Mass263.15
IUPAC Name6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole
SMILESCC1(C)OB(c2cc(F)cc3c2CCN3)OC1(C)C
InChIInChI=1S/C14H19BFNO2/c1-13(2)14(3,4)19-15(18-13)11-7-9(16)8-12-10(11)5-6-17-12/h7-8,17H,5-6H2,1-4H3
InChIKeyYDTHTRQBAHFFCE-UHFFFAOYSA-N
XLogP2.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole (CID 70890034) is 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole is CC1(C)OB(c2cc(F)cc3c2CCN3)OC1(C)C.
What is the InChIKey of 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole?
The InChIKey is YDTHTRQBAHFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BFNO2/c1-13(2)14(3,4)19-15(18-13)11-7-9(16)8-12-10(11)5-6-17-12/h7-8,17H,5-6H2,1-4H3.
What are the key properties of 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole?
6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 263.12 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 70890034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).