potassium (4-carbamoylphenyl)-trifluoroboranuide

C7H6BF3KNO — CID 44717215

IUPACpotassium (4-carbamoylphenyl)-trifluoroboranuide
SMILESNC(=O)c1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C7H6BF3NO.K/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h1-4H,(H2,12,13);/q-1;+1
InChIKeyBMTORUMAAKNFNW-UHFFFAOYSA-N
MW227.04 g/mol
LogP-2.16
Rot. Bonds2

About potassium (4-carbamoylphenyl)-trifluoroboranuide

potassium (4-carbamoylphenyl)-trifluoroboranuide (PubChem CID 44717215) has the molecular formula C7H6BF3KNO and a molecular weight of 227.04 g/mol. Its IUPAC name is potassium (4-carbamoylphenyl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (4-carbamoylphenyl)-trifluoroboranuide
PubChem CID44717215
Molecular FormulaC7H6BF3KNO
Molecular Weight227.04 g/mol
Exact Mass227.01
IUPAC Namepotassium (4-carbamoylphenyl)-trifluoroboranuide
SMILESNC(=O)c1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C7H6BF3NO.K/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h1-4H,(H2,12,13);/q-1;+1
InChIKeyBMTORUMAAKNFNW-UHFFFAOYSA-N
XLogP-2.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.04
LogP ≤ 5-2.16
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

potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
chloromethane;4-fluorobenzamide
CID 158476805
3,4-bis(trifluoromethyl)benzamide;hydrochloride
CID 174566583
4-carbamoylbenzenesulfonyl fluoride
CID 54079384
4-aminosulfanylbenzamide
CID 22301586
4-aminobenzamide;methanol
CID 144801245
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
4-[(Z)-N'-[(Z)-[(4-carbamoylphenyl)-(methylideneamino)methylidene]amino]carbamimidoyl]benzamide
CID 89216740
4-methylsulfonylbenzamide;hydrochloride
CID 71184405

Frequently Asked Questions

What is the IUPAC name of potassium (4-carbamoylphenyl)-trifluoroboranuide?
The IUPAC name of potassium (4-carbamoylphenyl)-trifluoroboranuide (CID 44717215) is potassium (4-carbamoylphenyl)-trifluoroboranuide.
What is the SMILES notation for potassium (4-carbamoylphenyl)-trifluoroboranuide?
The canonical SMILES for potassium (4-carbamoylphenyl)-trifluoroboranuide is NC(=O)c1ccc([B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium (4-carbamoylphenyl)-trifluoroboranuide?
The InChIKey is BMTORUMAAKNFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BF3NO.K/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h1-4H,(H2,12,13);/q-1;+1.
What are the key properties of potassium (4-carbamoylphenyl)-trifluoroboranuide?
potassium (4-carbamoylphenyl)-trifluoroboranuide has a molecular weight of 227.04 g/mol, XLogP of -2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-carbamoylphenyl)-trifluoroboranuide is sourced from PubChem (CID 44717215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).