(2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane

C17H27BF4O3Si — CID 175297494

IUPAC(2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane
SMILESCCC1CCCC[Si]1(CC)CC.OB(O)Oc1c(F)cc(F)c(F)c1F
InChIInChI=1S/C11H24Si.C6H3BF4O3/c1-4-11-9-7-8-10-12(11,5-2)6-3;8-2-1-3(9)6(14-7(12)13)5(11)4(2)10/h11H,4-10H2,1-3H3;1,12-13H
InChIKeyWLVRLNRUWQQUMQ-UHFFFAOYSA-N
MW394.29 g/mol
LogP5.03
Rot. Bonds5

About (2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane

(2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane (PubChem CID 175297494) has the molecular formula C17H27BF4O3Si and a molecular weight of 394.29 g/mol. Its IUPAC name is (2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane.

Molecular Properties

Compound Name(2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane
PubChem CID175297494
Molecular FormulaC17H27BF4O3Si
Molecular Weight394.29 g/mol
Exact Mass394.18
IUPAC Name(2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane
SMILESCCC1CCCC[Si]1(CC)CC.OB(O)Oc1c(F)cc(F)c(F)c1F
InChIInChI=1S/C11H24Si.C6H3BF4O3/c1-4-11-9-7-8-10-12(11,5-2)6-3;8-2-1-3(9)6(14-7(12)13)5(11)4(2)10/h11H,4-10H2,1-3H3;1,12-13H
InChIKeyWLVRLNRUWQQUMQ-UHFFFAOYSA-N
XLogP5.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.29
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2,3,4,6-tetrafluorophenoxy)boronic acid
CID 23221750
bis(N,N-dibutylbutan-1-amine);(2,3,4,6-tetrafluorophenoxy)boronic acid
CID 172806877
5-diazocyclohexa-1,3-diene;(2,3,4,6-tetrafluorophenoxy)boronic acid
CID 159009052
(2,3,4,5,6-pentafluorophenoxy)boronic acid;2,3,5,6-tetrafluoropyridine
CID 175024344
(2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate
CID 145241996
CID 175912305
CID 175912305
cyclohexyl-bis[8-[diethyl(methyl)silyl]octyl]-(2,3,4,6-tetrafluorophenoxy)silane
CID 173235264
2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol
CID 103290555
boric acid;1,2,3,4,5-pentafluorobenzene;silver
CID 159886582
N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
CID 107643882
1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine
CID 103289339
boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium
CID 159111301

Frequently Asked Questions

What is the IUPAC name of (2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane?
The IUPAC name of (2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane (CID 175297494) is (2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane.
What is the SMILES notation for (2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane?
The canonical SMILES for (2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane is CCC1CCCC[Si]1(CC)CC.OB(O)Oc1c(F)cc(F)c(F)c1F.
What is the InChIKey of (2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane?
The InChIKey is WLVRLNRUWQQUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24Si.C6H3BF4O3/c1-4-11-9-7-8-10-12(11,5-2)6-3;8-2-1-3(9)6(14-7(12)13)5(11)4(2)10/h11H,4-10H2,1-3H3;1,12-13H.
What are the key properties of (2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane?
(2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane has a molecular weight of 394.29 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,6-tetrafluorophenoxy)boronic acid;1,1,2-triethylsilinane is sourced from PubChem (CID 175297494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).