2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H18BFO2 — CID 157140576

IUPAC2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=Cc3c(F)cccc3C2)OC1(C)C
InChIInChI=1S/C15H18BFO2/c1-14(2)15(3,4)19-16(18-14)11-8-10-6-5-7-13(17)12(10)9-11/h5-7,9H,8H2,1-4H3
InChIKeyYHAQHVUDTVPBKN-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.40
Rot. Bonds1

About 2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 157140576) has the molecular formula C15H18BFO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is 2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID157140576
Molecular FormulaC15H18BFO2
Molecular Weight260.12 g/mol
Exact Mass260.14
IUPAC Name2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=Cc3c(F)cccc3C2)OC1(C)C
InChIInChI=1S/C15H18BFO2/c1-14(2)15(3,4)19-16(18-14)11-8-10-6-5-7-13(17)12(10)9-11/h5-7,9H,8H2,1-4H3
InChIKeyYHAQHVUDTVPBKN-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.40
H-Bond Donors ≤ 50
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 2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 157140576) is 2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2=Cc3c(F)cccc3C2)OC1(C)C.
What is the InChIKey of 2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is YHAQHVUDTVPBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BFO2/c1-14(2)15(3,4)19-16(18-14)11-8-10-6-5-7-13(17)12(10)9-11/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 260.12 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 157140576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).