2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H20BFO2 — CID 164895981

IUPAC2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1C
InChIInChI=1S/C14H20BFO2/c1-9-7-8-11(12(16)10(9)2)15-17-13(3,4)14(5,6)18-15/h7-8H,1-6H3
InChIKeyPTNGIJZHNVJOGC-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.74
Rot. Bonds1

About 2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 164895981) has the molecular formula C14H20BFO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is 2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID164895981
Molecular FormulaC14H20BFO2
Molecular Weight250.12 g/mol
Exact Mass250.15
IUPAC Name2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1C
InChIInChI=1S/C14H20BFO2/c1-9-7-8-11(12(16)10(9)2)15-17-13(3,4)14(5,6)18-15/h7-8H,1-6H3
InChIKeyPTNGIJZHNVJOGC-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.74
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-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 164895981) is 2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1C.
What is the InChIKey of 2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is PTNGIJZHNVJOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BFO2/c1-9-7-8-11(12(16)10(9)2)15-17-13(3,4)14(5,6)18-15/h7-8H,1-6H3.
What are the key properties of 2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 250.12 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 164895981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).