[6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid

C8H9BClFO4 — CID 138987196

IUPAC[6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid
SMILESCOCOc1ccc(Cl)c(B(O)O)c1F
InChIInChI=1S/C8H9BClFO4/c1-14-4-15-6-3-2-5(10)7(8(6)11)9(12)13/h2-3,12-13H,4H2,1H3
InChIKeyHEXAXFAXVZBDEL-UHFFFAOYSA-N
MW234.42 g/mol
LogP0.14
Rot. Bonds4

About [6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid

[6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid (PubChem CID 138987196) has the molecular formula C8H9BClFO4 and a molecular weight of 234.42 g/mol. Its IUPAC name is [6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid
PubChem CID138987196
Molecular FormulaC8H9BClFO4
Molecular Weight234.42 g/mol
Exact Mass234.03
IUPAC Name[6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid
SMILESCOCOc1ccc(Cl)c(B(O)O)c1F
InChIInChI=1S/C8H9BClFO4/c1-14-4-15-6-3-2-5(10)7(8(6)11)9(12)13/h2-3,12-13H,4H2,1H3
InChIKeyHEXAXFAXVZBDEL-UHFFFAOYSA-N
XLogP0.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.42
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid
CID 138987194
[2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid
CID 142634307
[3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-fluorophenyl]boronic acid
CID 171338487
(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
CID 164895481
(2,6-dichloro-3-methoxyphenyl)boronic acid
CID 57497288
(2,6-dichloro-3-ethoxyphenyl)boronic acid
CID 171367474
2-fluoro-3-(methoxymethoxy)phenol
CID 125115962
[2,4-difluoro-5-(methoxymethoxy)phenyl]boronic acid
CID 164891744
2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene
CID 164891583
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
CID 112694276
[4-chloro-2-fluoro-3-(methoxymethyl)phenyl]boronic acid
CID 164890773
2-fluoro-3-(methoxymethoxy)benzonitrile
CID 142496816

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid?
The IUPAC name of [6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid (CID 138987196) is [6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid.
What is the SMILES notation for [6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid?
The canonical SMILES for [6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid is COCOc1ccc(Cl)c(B(O)O)c1F.
What is the InChIKey of [6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid?
The InChIKey is HEXAXFAXVZBDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BClFO4/c1-14-4-15-6-3-2-5(10)7(8(6)11)9(12)13/h2-3,12-13H,4H2,1H3.
What are the key properties of [6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid?
[6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid has a molecular weight of 234.42 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid is sourced from PubChem (CID 138987196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).