[2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid

C13H10BClF2O3 — CID 103047110

IUPAC[2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid
SMILESOB(O)c1ccc(F)cc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C13H10BClF2O3/c15-9-1-4-12(17)8(5-9)7-20-13-6-10(16)2-3-11(13)14(18)19/h1-6,18-19H,7H2
InChIKeyNZHGABPDYQLETI-UHFFFAOYSA-N
MW298.48 g/mol
LogP1.88
Rot. Bonds4

About [2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid

[2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid (PubChem CID 103047110) has the molecular formula C13H10BClF2O3 and a molecular weight of 298.48 g/mol. Its IUPAC name is [2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid
PubChem CID103047110
Molecular FormulaC13H10BClF2O3
Molecular Weight298.48 g/mol
Exact Mass298.04
IUPAC Name[2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid
SMILESOB(O)c1ccc(F)cc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C13H10BClF2O3/c15-9-1-4-12(17)8(5-9)7-20-13-6-10(16)2-3-11(13)14(18)19/h1-6,18-19H,7H2
InChIKeyNZHGABPDYQLETI-UHFFFAOYSA-N
XLogP1.88
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2-[(2-chloro-5-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid
CID 102616648
1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 103046643
[2-[(2,5-difluorophenoxy)methyl]-4-methoxyphenyl]boronic acid
CID 65327596
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
CID 107698978
[2-[(2-fluorophenyl)methoxy]phenyl]boronic acid
CID 43327857
4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene
CID 103046666
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101
2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 103047119
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid
CID 102616651
[4-chloro-2-(2-methylpropoxy)phenyl]boronic acid
CID 53216479
[4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid
CID 115514513
2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid
CID 78975229

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid?
The IUPAC name of [2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid (CID 103047110) is [2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid.
What is the SMILES notation for [2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid?
The canonical SMILES for [2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid is OB(O)c1ccc(F)cc1OCc1cc(Cl)ccc1F.
What is the InChIKey of [2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid?
The InChIKey is NZHGABPDYQLETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BClF2O3/c15-9-1-4-12(17)8(5-9)7-20-13-6-10(16)2-3-11(13)14(18)19/h1-6,18-19H,7H2.
What are the key properties of [2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid?
[2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid has a molecular weight of 298.48 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid is sourced from PubChem (CID 103047110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).