potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide

C13H9BCl2F3KO — CID 63677693

IUPACpotassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1ccc(OCc2c(Cl)cccc2Cl)cc1.[K+]
InChIInChI=1S/C13H9BCl2F3O.K/c15-12-2-1-3-13(16)11(12)8-20-10-6-4-9(5-7-10)14(17,18)19;/h1-7H,8H2;/q-1;+1
InChIKeyFMBXTGIVDRAXMK-UHFFFAOYSA-N
MW359.02 g/mol
LogP1.63
Rot. Bonds4

About potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide

potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide (PubChem CID 63677693) has the molecular formula C13H9BCl2F3KO and a molecular weight of 359.02 g/mol. Its IUPAC name is potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
PubChem CID63677693
Molecular FormulaC13H9BCl2F3KO
Molecular Weight359.02 g/mol
Exact Mass357.97
IUPAC Namepotassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1ccc(OCc2c(Cl)cccc2Cl)cc1.[K+]
InChIInChI=1S/C13H9BCl2F3O.K/c15-12-2-1-3-13(16)11(12)8-20-10-6-4-9(5-7-10)14(17,18)19;/h1-7H,8H2;/q-1;+1
InChIKeyFMBXTGIVDRAXMK-UHFFFAOYSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.02
LogP ≤ 51.63
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

1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
potassium [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63677224
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
[2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63677225
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
CID 28888239
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711
potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63677677
potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide
CID 55231782
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878

Frequently Asked Questions

What is the IUPAC name of potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide?
The IUPAC name of potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide (CID 63677693) is potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide?
The canonical SMILES for potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide is F[B-](F)(F)c1ccc(OCc2c(Cl)cccc2Cl)cc1.[K+].
What is the InChIKey of potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide?
The InChIKey is FMBXTGIVDRAXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BCl2F3O.K/c15-12-2-1-3-13(16)11(12)8-20-10-6-4-9(5-7-10)14(17,18)19;/h1-7H,8H2;/q-1;+1.
What are the key properties of potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide?
potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide has a molecular weight of 359.02 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide is sourced from PubChem (CID 63677693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).