potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide

C13H10BClF3KO — CID 63675843

IUPACpotassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1cccc(OCc2cccc(Cl)c2)c1.[K+]
InChIInChI=1S/C13H10BClF3O.K/c15-12-5-1-3-10(7-12)9-19-13-6-2-4-11(8-13)14(16,17)18;/h1-8H,9H2;/q-1;+1
InChIKeyXCGXTMGLGVVWCX-UHFFFAOYSA-N
MW324.58 g/mol
LogP0.98
Rot. Bonds4

About potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide

potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide (PubChem CID 63675843) has the molecular formula C13H10BClF3KO and a molecular weight of 324.58 g/mol. Its IUPAC name is potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
PubChem CID63675843
Molecular FormulaC13H10BClF3KO
Molecular Weight324.58 g/mol
Exact Mass324.01
IUPAC Namepotassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1cccc(OCc2cccc(Cl)c2)c1.[K+]
InChIInChI=1S/C13H10BClF3O.K/c15-12-5-1-3-10(7-12)9-19-13-6-2-4-11(8-13)14(16,17)18;/h1-8H,9H2;/q-1;+1
InChIKeyXCGXTMGLGVVWCX-UHFFFAOYSA-N
XLogP0.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.58
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63678280
potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide
CID 63678299
[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-trifluoroboranuide
CID 83137066
potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63678267
trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
CID 63678095
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 63678085
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22685923
magnesium;1-chloro-3-(phenoxymethyl)benzene;bromide
CID 91655530

Frequently Asked Questions

What is the IUPAC name of potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide?
The IUPAC name of potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide (CID 63675843) is potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide?
The canonical SMILES for potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide is F[B-](F)(F)c1cccc(OCc2cccc(Cl)c2)c1.[K+].
What is the InChIKey of potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide?
The InChIKey is XCGXTMGLGVVWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BClF3O.K/c15-12-5-1-3-10(7-12)9-19-13-6-2-4-11(8-13)14(16,17)18;/h1-8H,9H2;/q-1;+1.
What are the key properties of potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide?
potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide has a molecular weight of 324.58 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide is sourced from PubChem (CID 63675843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).