2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H18BFO2 — CID 140813348

IUPAC2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(F)cccc3c2)OC1(C)C
InChIInChI=1S/C16H18BFO2/c1-15(2)16(3,4)20-17(19-15)12-8-9-13-11(10-12)6-5-7-14(13)18/h5-10H,1-4H3
InChIKeyTWVLUCGAMLGEMV-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.28
Rot. Bonds1

About 2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 140813348) has the molecular formula C16H18BFO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID140813348
Molecular FormulaC16H18BFO2
Molecular Weight272.13 g/mol
Exact Mass272.14
IUPAC Name2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(F)cccc3c2)OC1(C)C
InChIInChI=1S/C16H18BFO2/c1-15(2)16(3,4)20-17(19-15)12-8-9-13-11(10-12)6-5-7-14(13)18/h5-10H,1-4H3
InChIKeyTWVLUCGAMLGEMV-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.28
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-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 140813348) is 2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3c(F)cccc3c2)OC1(C)C.
What is the InChIKey of 2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is TWVLUCGAMLGEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BFO2/c1-15(2)16(3,4)20-17(19-15)12-8-9-13-11(10-12)6-5-7-14(13)18/h5-10H,1-4H3.
What are the key properties of 2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 272.13 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 140813348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).