potassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide

C8H10BF3KNO — CID 63705390

IUPACpotassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide
SMILESCN(C[B-](F)(F)F)c1ccc(O)cc1.[K+]
InChIInChI=1S/C8H10BF3NO.K/c1-13(6-9(10,11)12)7-2-4-8(14)5-3-7;/h2-5,14H,6H2,1H3;/q-1;+1
InChIKeyQVLFXMLHZGGUOM-UHFFFAOYSA-N
MW243.08 g/mol
LogP-0.78
Rot. Bonds3

About potassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide

potassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide (PubChem CID 63705390) has the molecular formula C8H10BF3KNO and a molecular weight of 243.08 g/mol. Its IUPAC name is potassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide
PubChem CID63705390
Molecular FormulaC8H10BF3KNO
Molecular Weight243.08 g/mol
Exact Mass243.04
IUPAC Namepotassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide
SMILESCN(C[B-](F)(F)F)c1ccc(O)cc1.[K+]
InChIInChI=1S/C8H10BF3NO.K/c1-13(6-9(10,11)12)7-2-4-8(14)5-3-7;/h2-5,14H,6H2,1H3;/q-1;+1
InChIKeyQVLFXMLHZGGUOM-UHFFFAOYSA-N
XLogP-0.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hydroxy-N-methylanilino)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide (CID 63705390) is potassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide is CN(C[B-](F)(F)F)c1ccc(O)cc1.[K+].
What is the InChIKey of potassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide?
The InChIKey is QVLFXMLHZGGUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BF3NO.K/c1-13(6-9(10,11)12)7-2-4-8(14)5-3-7;/h2-5,14H,6H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide?
potassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide has a molecular weight of 243.08 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide is sourced from PubChem (CID 63705390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).