potassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide

C8H8BF3KNO — CID 138375915

IUPACpotassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide
SMILESCNC(=O)c1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C8H8BF3NO.K/c1-13-8(14)6-2-4-7(5-3-6)9(10,11)12;/h2-5H,1H3,(H,13,14);/q-1;+1
InChIKeyNPULGMBAFKSYKD-UHFFFAOYSA-N
MW241.06 g/mol
LogP-1.90
Rot. Bonds2

About potassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide

potassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide (PubChem CID 138375915) has the molecular formula C8H8BF3KNO and a molecular weight of 241.06 g/mol. Its IUPAC name is potassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide
PubChem CID138375915
Molecular FormulaC8H8BF3KNO
Molecular Weight241.06 g/mol
Exact Mass241.03
IUPAC Namepotassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide
SMILESCNC(=O)c1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C8H8BF3NO.K/c1-13-8(14)6-2-4-7(5-3-6)9(10,11)12;/h2-5H,1H3,(H,13,14);/q-1;+1
InChIKeyNPULGMBAFKSYKD-UHFFFAOYSA-N
XLogP-1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methylbenzamide
CID 11954
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697
4-hydrazinyl-N-methylbenzamide
CID 20649402
4-ethynyl-N-methylbenzamide
CID 14596430
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595
[4-(methylcarbamoyl)phenyl]methanesulfinic acid
CID 165455405
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
ethane;[4-(methylcarbamoyl)phenyl]boronic acid
CID 145286024
N-methyl-4-prop-1-ynylbenzamide
CID 126551972
ethane;4-ethynyl-N-methylbenzamide
CID 178156727
N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide (CID 138375915) is potassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide is CNC(=O)c1ccc([B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide?
The InChIKey is NPULGMBAFKSYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BF3NO.K/c1-13-8(14)6-2-4-7(5-3-6)9(10,11)12;/h2-5H,1H3,(H,13,14);/q-1;+1.
What are the key properties of potassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide?
potassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide has a molecular weight of 241.06 g/mol, XLogP of -1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-(methylcarbamoyl)phenyl]boranuide is sourced from PubChem (CID 138375915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).