CID 175912305

C6H2BF5LiO3 — CID 175912305

IUPAC—
SMILESOB(O)Oc1c(F)c(F)c(F)c(F)c1F.[Li]
InChIInChI=1S/C6H2BF5O3.Li/c8-1-2(9)4(11)6(15-7(13)14)5(12)3(1)10;/h13-14H;
InChIKeyDRLITPOZKBBZDM-UHFFFAOYSA-N
MW234.82 g/mol
LogP0.35
Rot. Bonds2

About CID 175912305

CID 175912305 (PubChem CID 175912305) has the molecular formula C6H2BF5LiO3 and a molecular weight of 234.82 g/mol.

Molecular Properties

Compound NameCID 175912305
PubChem CID175912305
Molecular FormulaC6H2BF5LiO3
Molecular Weight234.82 g/mol
Exact Mass235.02
IUPAC Name—
SMILESOB(O)Oc1c(F)c(F)c(F)c(F)c1F.[Li]
InChIInChI=1S/C6H2BF5O3.Li/c8-1-2(9)4(11)6(15-7(13)14)5(12)3(1)10;/h13-14H;
InChIKeyDRLITPOZKBBZDM-UHFFFAOYSA-N
XLogP0.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.82
LogP ≤ 50.35
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

(2,3,4,5,6-pentafluorophenoxy)boronic acid;hydroiodide
CID 87590882
(2,3,4,5,6-pentafluorophenoxy)boronic acid;2,3,5,6-tetrafluoropyridine
CID 175024344
benzhydrylbenzene;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid)
CID 173177693
(2,3,4,6-tetrafluorophenoxy)boronic acid
CID 23221750
N,N-dimethylaniline;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid)
CID 172817578
(2,3,4,5,6-pentafluorophenoxy)boronic acid;bis(tris(2-phenylpropan-2-yl)-λ3-iodane)
CID 172788517
[4-(3,5-ditert-butylphenyl)-2,3,5,6-tetrafluorophenoxy]boronic acid
CID 175569295
bis(8-chloroquinoline);(2,3,4,5,6-pentafluorophenoxy)boronic acid
CID 172821560
(4-fluoro-2,6-dimethylphenoxy)boronic acid
CID 165388238
(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borinic acid
CID 141042479
bis(2,3,4,5,6-pentafluorophenoxy)borinic acid;N,N-dimethylaniline
CID 162232157
(2,3,4,5,6-pentafluorophenoxy)boronic acid;2-propan-2-ylthioxanthen-9-one
CID 175736436

Frequently Asked Questions

What is the IUPAC name of CID 175912305?
The IUPAC name of CID 175912305 (CID 175912305) is not available.
What is the SMILES notation for CID 175912305?
The canonical SMILES for CID 175912305 is OB(O)Oc1c(F)c(F)c(F)c(F)c1F.[Li].
What is the InChIKey of CID 175912305?
The InChIKey is DRLITPOZKBBZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BF5O3.Li/c8-1-2(9)4(11)6(15-7(13)14)5(12)3(1)10;/h13-14H;.
What are the key properties of CID 175912305?
CID 175912305 has a molecular weight of 234.82 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175912305 is sourced from PubChem (CID 175912305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).