2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H19BF2O2 — CID 142555933

IUPAC2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(F)c(-c3cccc(F)c3)c2)OC1(C)C
InChIInChI=1S/C18H19BF2O2/c1-17(2)18(3,4)23-19(22-17)13-8-9-16(21)15(11-13)12-6-5-7-14(20)10-12/h5-11H,1-4H3
InChIKeyOHQBKALJEXZFEI-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.93
Rot. Bonds2

About 2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 142555933) has the molecular formula C18H19BF2O2 and a molecular weight of 316.16 g/mol. Its IUPAC name is 2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID142555933
Molecular FormulaC18H19BF2O2
Molecular Weight316.16 g/mol
Exact Mass316.14
IUPAC Name2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(F)c(-c3cccc(F)c3)c2)OC1(C)C
InChIInChI=1S/C18H19BF2O2/c1-17(2)18(3,4)23-19(22-17)13-8-9-16(21)15(11-13)12-6-5-7-14(20)10-12/h5-11H,1-4H3
InChIKeyOHQBKALJEXZFEI-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.93
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-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 142555933) is 2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(F)c(-c3cccc(F)c3)c2)OC1(C)C.
What is the InChIKey of 2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is OHQBKALJEXZFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BF2O2/c1-17(2)18(3,4)23-19(22-17)13-8-9-16(21)15(11-13)12-6-5-7-14(20)10-12/h5-11H,1-4H3.
What are the key properties of 2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 316.16 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 142555933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).