2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H21BF2O3 — CID 137346774

IUPAC2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)Oc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F
InChIInChI=1S/C15H21BF2O3/c1-9(2)19-13-8-11(17)10(7-12(13)18)16-20-14(3,4)15(5,6)21-16/h7-9H,1-6H3
InChIKeyBUOJYPIFZGUMOJ-UHFFFAOYSA-N
MW298.14 g/mol
LogP3.05
Rot. Bonds3

About 2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 137346774) has the molecular formula C15H21BF2O3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID137346774
Molecular FormulaC15H21BF2O3
Molecular Weight298.14 g/mol
Exact Mass298.16
IUPAC Name2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)Oc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F
InChIInChI=1S/C15H21BF2O3/c1-9(2)19-13-8-11(17)10(7-12(13)18)16-20-14(3,4)15(5,6)21-16/h7-9H,1-6H3
InChIKeyBUOJYPIFZGUMOJ-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 137346774) is 2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)Oc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is BUOJYPIFZGUMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BF2O3/c1-9(2)19-13-8-11(17)10(7-12(13)18)16-20-14(3,4)15(5,6)21-16/h7-9H,1-6H3.
What are the key properties of 2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 298.14 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 137346774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).