2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane

C20H23BO — CID 161277779

IUPAC2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane
SMILESCC1(C)CB(c2ccc3c(c2)Cc2ccccc2-3)OC1(C)C
InChIInChI=1S/C20H23BO/c1-19(2)13-21(22-20(19,3)4)16-9-10-18-15(12-16)11-14-7-5-6-8-17(14)18/h5-10,12H,11,13H2,1-4H3
InChIKeyVERBHESRAKDITH-UHFFFAOYSA-N
MW290.21 g/mol
LogP4.29
Rot. Bonds1

About 2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane

2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane (PubChem CID 161277779) has the molecular formula C20H23BO and a molecular weight of 290.21 g/mol. Its IUPAC name is 2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane.

Molecular Properties

Compound Name2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane
PubChem CID161277779
Molecular FormulaC20H23BO
Molecular Weight290.21 g/mol
Exact Mass290.18
IUPAC Name2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane
SMILESCC1(C)CB(c2ccc3c(c2)Cc2ccccc2-3)OC1(C)C
InChIInChI=1S/C20H23BO/c1-19(2)13-21(22-20(19,3)4)16-9-10-18-15(12-16)11-14-7-5-6-8-17(14)18/h5-10,12H,11,13H2,1-4H3
InChIKeyVERBHESRAKDITH-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane?
The IUPAC name of 2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane (CID 161277779) is 2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane.
What is the SMILES notation for 2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane?
The canonical SMILES for 2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane is CC1(C)CB(c2ccc3c(c2)Cc2ccccc2-3)OC1(C)C.
What is the InChIKey of 2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane?
The InChIKey is VERBHESRAKDITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BO/c1-19(2)13-21(22-20(19,3)4)16-9-10-18-15(12-16)11-14-7-5-6-8-17(14)18/h5-10,12H,11,13H2,1-4H3.
What are the key properties of 2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane?
2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane has a molecular weight of 290.21 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-2-yl)-4,4,5,5-tetramethyloxaborolane is sourced from PubChem (CID 161277779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).