potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide

C8H5BClF6K — CID 171374127

IUPACpotassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide
SMILESF[B-](F)(F)Cc1cc(C(F)(F)F)ccc1Cl.[K+]
InChIInChI=1S/C8H5BClF6.K/c10-7-2-1-6(8(11,12)13)3-5(7)4-9(14,15)16;/h1-3H,4H2;/q-1;+1
InChIKeyXOOVTWGSTQJAOK-UHFFFAOYSA-N
MW300.48 g/mol
LogP1.29
Rot. Bonds2

About potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide

potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide (PubChem CID 171374127) has the molecular formula C8H5BClF6K and a molecular weight of 300.48 g/mol. Its IUPAC name is potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide
PubChem CID171374127
Molecular FormulaC8H5BClF6K
Molecular Weight300.48 g/mol
Exact Mass299.97
IUPAC Namepotassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide
SMILESF[B-](F)(F)Cc1cc(C(F)(F)F)ccc1Cl.[K+]
InChIInChI=1S/C8H5BClF6.K/c10-7-2-1-6(8(11,12)13)3-5(7)4-9(14,15)16;/h1-3H,4H2;/q-1;+1
InChIKeyXOOVTWGSTQJAOK-UHFFFAOYSA-N
XLogP1.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[[2-iodo-5-(trifluoromethyl)phenyl]methyl]boranuide
CID 171374124
potassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide
CID 102620260
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine
CID 148766758
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 131739278
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonate
CID 59623726
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride
CID 143805347
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871
2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]propanedioic acid
CID 170895454
2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 91755508
4-[2-chloro-5-(trifluoromethyl)phenyl]butan-2-one
CID 82297621
1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidine
CID 11952114
potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide
CID 63701463

Frequently Asked Questions

What is the IUPAC name of potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide?
The IUPAC name of potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide (CID 171374127) is potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide.
What is the SMILES notation for potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide?
The canonical SMILES for potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide is F[B-](F)(F)Cc1cc(C(F)(F)F)ccc1Cl.[K+].
What is the InChIKey of potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide?
The InChIKey is XOOVTWGSTQJAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BClF6.K/c10-7-2-1-6(8(11,12)13)3-5(7)4-9(14,15)16;/h1-3H,4H2;/q-1;+1.
What are the key properties of potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide?
potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide has a molecular weight of 300.48 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide is sourced from PubChem (CID 171374127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).