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

C14H20BFO3 — CID 67979405

IUPAC2-[3-fluoro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C14H20BFO3/c1-13(2)14(3,4)19-15(18-13)11-6-10(9-17-5)7-12(16)8-11/h6-8H,9H2,1-5H3
InChIKeyFDAJDKCUNYLPHL-UHFFFAOYSA-N
MW266.12 g/mol
LogP2.27
Rot. Bonds3

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

2-[3-fluoro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 67979405) has the molecular formula C14H20BFO3 and a molecular weight of 266.12 g/mol. Its IUPAC name is 2-[3-fluoro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[3-fluoro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID67979405
Molecular FormulaC14H20BFO3
Molecular Weight266.12 g/mol
Exact Mass266.15
IUPAC Name2-[3-fluoro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C14H20BFO3/c1-13(2)14(3,4)19-15(18-13)11-6-10(9-17-5)7-12(16)8-11/h6-8H,9H2,1-5H3
InChIKeyFDAJDKCUNYLPHL-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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Related Compounds

4-(Hydroxymethyl)benzeneboronic acid pinacol ester
CID 11402050
Benzyl tert-butyl ether
CID 561155
(4-Fluorophenyl) methanol, tert.-butyl ether
CID 11830064
2-(Methoxymethyl)benzeneboronic acid
CID 3759408
(E)-2-(3-(benzyloxy)prop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 14141556
4-(Oxolan-2-yl)phenylboronic acid pinacol ester
CID 129946704
3-Hydroxymethylphenylboronic acid pinacol ester
CID 44118236
(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol
CID 56951398
(2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol
CID 74789456
(4-Fluoro-2-(methoxymethyl)phenyl)boronic acid
CID 44423801
1-Fluoro-2-(methoxymethyl)benzene
CID 10351781
1-Fluoro-4-(methoxymethyl)benzene
CID 11083966

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[3-fluoro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 67979405) is 2-[3-fluoro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[3-fluoro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[3-fluoro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of 2-[3-fluoro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is FDAJDKCUNYLPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BFO3/c1-13(2)14(3,4)19-15(18-13)11-6-10(9-17-5)7-12(16)8-11/h6-8H,9H2,1-5H3.
What are the key properties of 2-[3-fluoro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[3-fluoro-5-(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-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 67979405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).