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

C14H20BFO3 — CID 75360944

IUPAC2-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F
InChIInChI=1S/C14H20BFO3/c1-13(2)14(3,4)19-15(18-13)11-7-6-10(9-17-5)12(16)8-11/h6-8H,9H2,1-5H3
InChIKeyJSAOBIMNOCMEFL-UHFFFAOYSA-N
MW266.12 g/mol
LogP2.27
Rot. Bonds3

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

2-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 75360944) has the molecular formula C14H20BFO3 and a molecular weight of 266.12 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID75360944
Molecular FormulaC14H20BFO3
Molecular Weight266.12 g/mol
Exact Mass266.15
IUPAC Name2-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F
InChIInChI=1S/C14H20BFO3/c1-13(2)14(3,4)19-15(18-13)11-7-6-10(9-17-5)12(16)8-11/h6-8H,9H2,1-5H3
InChIKeyJSAOBIMNOCMEFL-UHFFFAOYSA-N
XLogP2.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 52.27
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-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 75360944) is 2-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F.
What is the InChIKey of 2-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is JSAOBIMNOCMEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BFO3/c1-13(2)14(3,4)19-15(18-13)11-7-6-10(9-17-5)12(16)8-11/h6-8H,9H2,1-5H3.
What are the key properties of 2-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.12 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 75360944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).