[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid

C10H14BFO4 — CID 65203767

IUPAC[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid
SMILESCOCC(C)Oc1ccc(B(O)O)c(F)c1
InChIInChI=1S/C10H14BFO4/c1-7(6-15-2)16-8-3-4-9(11(13)14)10(12)5-8/h3-5,7,13-14H,6H2,1-2H3
InChIKeyMAAWHDPWHYUYSC-UHFFFAOYSA-N
MW228.03 g/mol
LogP-0.08
Rot. Bonds5

About [2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid

[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid (PubChem CID 65203767) has the molecular formula C10H14BFO4 and a molecular weight of 228.03 g/mol. Its IUPAC name is [2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid.

Molecular Properties

Compound Name[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid
PubChem CID65203767
Molecular FormulaC10H14BFO4
Molecular Weight228.03 g/mol
Exact Mass228.10
IUPAC Name[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid
SMILESCOCC(C)Oc1ccc(B(O)O)c(F)c1
InChIInChI=1S/C10H14BFO4/c1-7(6-15-2)16-8-3-4-9(11(13)14)10(12)5-8/h3-5,7,13-14H,6H2,1-2H3
InChIKeyMAAWHDPWHYUYSC-UHFFFAOYSA-N
XLogP-0.08
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 107718696
3-(3,4-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid
CID 66970037
N-[1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 107717617
(2-fluoro-4-nonoxyphenyl)boronic acid
CID 23005431
1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
2-methoxy-4-[(2R)-1-methoxypropan-2-yl]oxy-1-methylbenzene
CID 70331911
[4-[3-(dimethylamino)propoxy]-2-fluorophenyl]boronic acid
CID 114525791
[2-fluoro-4-(4-methoxyphenyl)phenyl]boronic acid
CID 71224966
2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
CID 107170775
1-chloro-3-(1-methoxypropan-2-yloxy)benzene
CID 64765471
6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid
CID 123770863
[2-fluoro-4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]boronic acid
CID 65203771

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid?
The IUPAC name of [2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid (CID 65203767) is [2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid.
What is the SMILES notation for [2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid?
The canonical SMILES for [2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid is COCC(C)Oc1ccc(B(O)O)c(F)c1.
What is the InChIKey of [2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid?
The InChIKey is MAAWHDPWHYUYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BFO4/c1-7(6-15-2)16-8-3-4-9(11(13)14)10(12)5-8/h3-5,7,13-14H,6H2,1-2H3.
What are the key properties of [2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid?
[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid has a molecular weight of 228.03 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid is sourced from PubChem (CID 65203767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).