(4-fluoro-3-methoxyphenyl)-dimethoxyborane

C9H12BFO3 — CID 174824677

IUPAC(4-fluoro-3-methoxyphenyl)-dimethoxyborane
SMILESCOB(OC)c1ccc(F)c(OC)c1
InChIInChI=1S/C9H12BFO3/c1-12-9-6-7(4-5-8(9)11)10(13-2)14-3/h4-6H,1-3H3
InChIKeyAFUDEKMYQXFGDH-UHFFFAOYSA-N
MW198.00 g/mol
LogP0.82
Rot. Bonds4

About (4-fluoro-3-methoxyphenyl)-dimethoxyborane

(4-fluoro-3-methoxyphenyl)-dimethoxyborane (PubChem CID 174824677) has the molecular formula C9H12BFO3 and a molecular weight of 198.00 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-dimethoxyborane.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-dimethoxyborane
PubChem CID174824677
Molecular FormulaC9H12BFO3
Molecular Weight198.00 g/mol
Exact Mass198.09
IUPAC Name(4-fluoro-3-methoxyphenyl)-dimethoxyborane
SMILESCOB(OC)c1ccc(F)c(OC)c1
InChIInChI=1S/C9H12BFO3/c1-12-9-6-7(4-5-8(9)11)10(13-2)14-3/h4-6H,1-3H3
InChIKeyAFUDEKMYQXFGDH-UHFFFAOYSA-N
XLogP0.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.00
LogP ≤ 50.82
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 (4-fluoro-3-methoxyphenyl)-dimethoxyborane?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-dimethoxyborane (CID 174824677) is (4-fluoro-3-methoxyphenyl)-dimethoxyborane.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-dimethoxyborane?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-dimethoxyborane is COB(OC)c1ccc(F)c(OC)c1.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-dimethoxyborane?
The InChIKey is AFUDEKMYQXFGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BFO3/c1-12-9-6-7(4-5-8(9)11)10(13-2)14-3/h4-6H,1-3H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-dimethoxyborane?
(4-fluoro-3-methoxyphenyl)-dimethoxyborane has a molecular weight of 198.00 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-dimethoxyborane is sourced from PubChem (CID 174824677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).