potassium (4-cyanophenyl)-trifluoroboranuide

C7H4BF3KN — CID 23716872

IUPACpotassium (4-cyanophenyl)-trifluoroboranuide
SMILESN#Cc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C7H4BF3N.K/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h1-4H;/q-1;+1
InChIKeyJEQAKQWNUUSKHI-UHFFFAOYSA-N
MW209.02 g/mol
LogP-1.38
Rot. Bonds1

About potassium (4-cyanophenyl)-trifluoroboranuide

potassium (4-cyanophenyl)-trifluoroboranuide (PubChem CID 23716872) has the molecular formula C7H4BF3KN and a molecular weight of 209.02 g/mol. Its IUPAC name is potassium (4-cyanophenyl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (4-cyanophenyl)-trifluoroboranuide
PubChem CID23716872
Molecular FormulaC7H4BF3KN
Molecular Weight209.02 g/mol
Exact Mass209.00
IUPAC Namepotassium (4-cyanophenyl)-trifluoroboranuide
SMILESN#Cc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C7H4BF3N.K/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h1-4H;/q-1;+1
InChIKeyJEQAKQWNUUSKHI-UHFFFAOYSA-N
XLogP-1.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.02
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium (4-cyanophenyl)-trifluoroboranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyanophenyl)-trifluoroboranuide
CID 2782893
azane;benzene-1,4-dicarbonitrile
CID 174336566
potassium (5-cyano-3-pyridinyl)-trifluoroboranuide
CID 57416942
nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate
CID 11982199
tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate
CID 14290399
azulene-6-carbonitrile
CID 91533837
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
(4-cyano-3-hydroxyphenyl)-trifluoroboranuide
CID 165488033
4-amino(13C)benzonitrile
CID 10080388
CID 139265768
CID 139265768
4-hydroxybenzonitrile
CID 53435365
4-[4-[1-(4-cyanophenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzonitrile ditetrafluoroborate
CID 18319367

Frequently Asked Questions

What is the IUPAC name of potassium (4-cyanophenyl)-trifluoroboranuide?
The IUPAC name of potassium (4-cyanophenyl)-trifluoroboranuide (CID 23716872) is potassium (4-cyanophenyl)-trifluoroboranuide.
What is the SMILES notation for potassium (4-cyanophenyl)-trifluoroboranuide?
The canonical SMILES for potassium (4-cyanophenyl)-trifluoroboranuide is N#Cc1ccc([B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium (4-cyanophenyl)-trifluoroboranuide?
The InChIKey is JEQAKQWNUUSKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BF3N.K/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h1-4H;/q-1;+1.
What are the key properties of potassium (4-cyanophenyl)-trifluoroboranuide?
potassium (4-cyanophenyl)-trifluoroboranuide has a molecular weight of 209.02 g/mol, XLogP of -1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-cyanophenyl)-trifluoroboranuide is sourced from PubChem (CID 23716872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).