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

C10H15BFNO2 — CID 163719105

IUPAC1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
SMILESCC1(C)OB(c2cccn2F)OC1(C)C
InChIInChI=1S/C10H15BFNO2/c1-9(2)10(3,4)15-11(14-9)8-6-5-7-13(8)12/h5-7H,1-4H3
InChIKeySBNKISBWDUROLC-UHFFFAOYSA-N
MW211.05 g/mol
LogP1.52
Rot. Bonds1

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

1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole (PubChem CID 163719105) has the molecular formula C10H15BFNO2 and a molecular weight of 211.05 g/mol. Its IUPAC name is 1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole.

Molecular Properties

Compound Name1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
PubChem CID163719105
Molecular FormulaC10H15BFNO2
Molecular Weight211.05 g/mol
Exact Mass211.12
IUPAC Name1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
SMILESCC1(C)OB(c2cccn2F)OC1(C)C
InChIInChI=1S/C10H15BFNO2/c1-9(2)10(3,4)15-11(14-9)8-6-5-7-13(8)12/h5-7H,1-4H3
InChIKeySBNKISBWDUROLC-UHFFFAOYSA-N
XLogP1.52
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine
CID 134691862
1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 90189368
10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole
CID 168744662
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
1-(2-methylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 154832482
1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
CID 42639219
2-(4-deuteriophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138376291
4,4,5,5-tetramethyl-2-[2,3,4-trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 56973103
4,4,5,5-tetramethyl-2-[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane
CID 140933550
2-bromophenol;methane;2-(1-methylpyrrol-2-yl)phenol;1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole;palladium;tetrakis(triphenylphosphane)
CID 158133006
2-pyrrol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 53398362
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyridine
CID 68957537

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole?
The IUPAC name of 1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole (CID 163719105) is 1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole.
What is the SMILES notation for 1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole?
The canonical SMILES for 1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole is CC1(C)OB(c2cccn2F)OC1(C)C.
What is the InChIKey of 1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole?
The InChIKey is SBNKISBWDUROLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BFNO2/c1-9(2)10(3,4)15-11(14-9)8-6-5-7-13(8)12/h5-7H,1-4H3.
What are the key properties of 1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole?
1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole has a molecular weight of 211.05 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole is sourced from PubChem (CID 163719105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).