[4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid

C10H11BF4O3 — CID 115514513

IUPAC[4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid
SMILESOB(O)c1ccc(F)cc1OCCCC(F)(F)F
InChIInChI=1S/C10H11BF4O3/c12-7-2-3-8(11(16)17)9(6-7)18-5-1-4-10(13,14)15/h2-3,6,16-17H,1,4-5H2
InChIKeyUVOCQJQOFMWJAM-UHFFFAOYSA-N
MW266.00 g/mol
LogP1.23
Rot. Bonds5

About [4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid

[4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid (PubChem CID 115514513) has the molecular formula C10H11BF4O3 and a molecular weight of 266.00 g/mol. Its IUPAC name is [4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid
PubChem CID115514513
Molecular FormulaC10H11BF4O3
Molecular Weight266.00 g/mol
Exact Mass266.07
IUPAC Name[4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid
SMILESOB(O)c1ccc(F)cc1OCCCC(F)(F)F
InChIInChI=1S/C10H11BF4O3/c12-7-2-3-8(11(16)17)9(6-7)18-5-1-4-10(13,14)15/h2-3,6,16-17H,1,4-5H2
InChIKeyUVOCQJQOFMWJAM-UHFFFAOYSA-N
XLogP1.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.00
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid
CID 103410549
[5-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid
CID 104706122
potassium trifluoro-[5-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 115514504
[5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid
CID 104648202
[2-[(2-chloro-5-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid
CID 102616648
1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64566512
2-fluoro-1-methyl-3-(4,4,4-trifluorobutoxy)benzene
CID 107661943
[2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid
CID 103047110
5-fluoro-2-(4,4,4-trifluorobutoxy)benzenesulfonyl chloride
CID 113326287
1-fluoro-4-methyl-2-(4,4,4-trifluorobutoxy)benzene
CID 115518687
[2-(3-ethoxypropoxy)-5-fluorophenyl]boronic acid
CID 65175210
4-methyl-2-(4,4,4-trifluorobutoxy)benzoic acid
CID 113326212

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid?
The IUPAC name of [4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid (CID 115514513) is [4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid.
What is the SMILES notation for [4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid?
The canonical SMILES for [4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid is OB(O)c1ccc(F)cc1OCCCC(F)(F)F.
What is the InChIKey of [4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid?
The InChIKey is UVOCQJQOFMWJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BF4O3/c12-7-2-3-8(11(16)17)9(6-7)18-5-1-4-10(13,14)15/h2-3,6,16-17H,1,4-5H2.
What are the key properties of [4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid?
[4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid has a molecular weight of 266.00 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid is sourced from PubChem (CID 115514513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).