[3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane

C14H21BF6O2Si — CID 175349856

IUPAC[3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane
SMILESCC[SiH](CC)CC.OB(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C8H5BF6O2.C6H16Si/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16)17;1-4-7(5-2)6-3/h1-3,16-17H;7H,4-6H2,1-3H3
InChIKeyXGQNLTYRHKCOQS-UHFFFAOYSA-N
MW374.21 g/mol
LogP3.68
Rot. Bonds4

About [3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane

[3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane (PubChem CID 175349856) has the molecular formula C14H21BF6O2Si and a molecular weight of 374.21 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane
PubChem CID175349856
Molecular FormulaC14H21BF6O2Si
Molecular Weight374.21 g/mol
Exact Mass374.13
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane
SMILESCC[SiH](CC)CC.OB(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C8H5BF6O2.C6H16Si/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16)17;1-4-7(5-2)6-3/h1-3,16-17H;7H,4-6H2,1-3H3
InChIKeyXGQNLTYRHKCOQS-UHFFFAOYSA-N
XLogP3.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[3,5-bis(trifluoromethyl)phenyl]-methylborane
CID 142545370
[3-(trifluoromethyl)phenyl]boronic acid
CID 160780099
[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid
CID 167733874
[[3,5-bis(trifluoromethyl)phenyl]-oxonioboranyl]oxidanium
CID 163462437
[5-(trifluoromethyl)-3-pyridinyl]boronic acid;hydrochloride
CID 67218913
[3,5-bis(trifluoromethyl)phenyl]boronic acid;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromopyridine;2,6-dibromopyridine
CID 157261951
N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine
CID 137418148
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
[2-fluoro-3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]boronic acid
CID 164891316
bis[3,5-bis(trifluoromethyl)phenyl]-propan-2-yloxyborane
CID 142545368
[3-fluoro-5-(2-hydroxypropan-2-yl)phenyl]boronic acid
CID 55266103
2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol
CID 10830106

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane (CID 175349856) is [3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane is CC[SiH](CC)CC.OB(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane?
The InChIKey is XGQNLTYRHKCOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BF6O2.C6H16Si/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16)17;1-4-7(5-2)6-3/h1-3,16-17H;7H,4-6H2,1-3H3.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane?
[3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane has a molecular weight of 374.21 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane is sourced from PubChem (CID 175349856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).