2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline

C14H16BFN2O2 — CID 67172433

IUPAC2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
SMILESCC1(C)OB(c2ccc3ncc(F)nc3c2)OC1(C)C
InChIInChI=1S/C14H16BFN2O2/c1-13(2)14(3,4)20-15(19-13)9-5-6-10-11(7-9)18-12(16)8-17-10/h5-8H,1-4H3
InChIKeyOSJRWWPQNQLMQB-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.07
Rot. Bonds1

About 2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline

2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline (PubChem CID 67172433) has the molecular formula C14H16BFN2O2 and a molecular weight of 274.10 g/mol. Its IUPAC name is 2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline.

Molecular Properties

Compound Name2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
PubChem CID67172433
Molecular FormulaC14H16BFN2O2
Molecular Weight274.10 g/mol
Exact Mass274.13
IUPAC Name2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
SMILESCC1(C)OB(c2ccc3ncc(F)nc3c2)OC1(C)C
InChIInChI=1S/C14H16BFN2O2/c1-13(2)14(3,4)20-15(19-13)9-5-6-10-11(7-9)18-12(16)8-17-10/h5-8H,1-4H3
InChIKeyOSJRWWPQNQLMQB-UHFFFAOYSA-N
XLogP2.07
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 151752438
2-pyrazol-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
CID 71209305
2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol
CID 142321842
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine
CID 75487098
2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
CID 177197500
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole
CID 46738015
4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine
CID 156726497
2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
CID 123398294
2-[3,4-bis(ethenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153341613
3-bromo-6-fluoroquinoline;6-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 157307084
2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140723688
N-[(1R)-1-phenylethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine
CID 145173152

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
The IUPAC name of 2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline (CID 67172433) is 2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline.
What is the SMILES notation for 2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
The canonical SMILES for 2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline is CC1(C)OB(c2ccc3ncc(F)nc3c2)OC1(C)C.
What is the InChIKey of 2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
The InChIKey is OSJRWWPQNQLMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BFN2O2/c1-13(2)14(3,4)20-15(19-13)9-5-6-10-11(7-9)18-12(16)8-17-10/h5-8H,1-4H3.
What are the key properties of 2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline has a molecular weight of 274.10 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline is sourced from PubChem (CID 67172433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).