2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H22BFO2 — CID 123617833

IUPAC2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=C3CCCC3=C(F)CC2)OC1(C)C
InChIInChI=1S/C15H22BFO2/c1-14(2)15(3,4)19-16(18-14)12-8-9-13(17)11-7-5-6-10(11)12/h5-9H2,1-4H3
InChIKeyBQDFTVHMXJUCRF-UHFFFAOYSA-N
MW264.15 g/mol
LogP4.12
Rot. Bonds1

About 2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 123617833) has the molecular formula C15H22BFO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID123617833
Molecular FormulaC15H22BFO2
Molecular Weight264.15 g/mol
Exact Mass264.17
IUPAC Name2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=C3CCCC3=C(F)CC2)OC1(C)C
InChIInChI=1S/C15H22BFO2/c1-14(2)15(3,4)19-16(18-14)12-8-9-13(17)11-7-5-6-10(11)12/h5-9H2,1-4H3
InChIKeyBQDFTVHMXJUCRF-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(1-Fluoro-2-methylpropylidene)cyclopentylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123542409
2-(1-Cyclopentylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134903562

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 123617833) is 2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2=C3CCCC3=C(F)CC2)OC1(C)C.
What is the InChIKey of 2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is BQDFTVHMXJUCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BFO2/c1-14(2)15(3,4)19-16(18-14)12-8-9-13(17)11-7-5-6-10(11)12/h5-9H2,1-4H3.
What are the key properties of 2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 264.15 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2,3,5,6-tetrahydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 123617833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).