potassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide

C9H10BF4K — CID 171374235

IUPACpotassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide
SMILESCc1cc(C[B-](F)(F)F)cc(C)c1F.[K+]
InChIInChI=1S/C9H10BF4.K/c1-6-3-8(5-10(12,13)14)4-7(2)9(6)11;/h3-4H,5H2,1-2H3;/q-1;+1
InChIKeyQZJWBVVHYKIUEH-UHFFFAOYSA-N
MW244.08 g/mol
LogP0.38
Rot. Bonds2

About potassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide

potassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide (PubChem CID 171374235) has the molecular formula C9H10BF4K and a molecular weight of 244.08 g/mol. Its IUPAC name is potassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide
PubChem CID171374235
Molecular FormulaC9H10BF4K
Molecular Weight244.08 g/mol
Exact Mass244.04
IUPAC Namepotassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide
SMILESCc1cc(C[B-](F)(F)F)cc(C)c1F.[K+]
InChIInChI=1S/C9H10BF4.K/c1-6-3-8(5-10(12,13)14)4-7(2)9(6)11;/h3-4H,5H2,1-2H3;/q-1;+1
InChIKeyQZJWBVVHYKIUEH-UHFFFAOYSA-N
XLogP0.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide (CID 171374235) is potassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide is Cc1cc(C[B-](F)(F)F)cc(C)c1F.[K+].
What is the InChIKey of potassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide?
The InChIKey is QZJWBVVHYKIUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BF4.K/c1-6-3-8(5-10(12,13)14)4-7(2)9(6)11;/h3-4H,5H2,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide?
potassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide has a molecular weight of 244.08 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(4-fluoro-3,5-dimethylphenyl)methyl]boranuide is sourced from PubChem (CID 171374235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).