potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide

C8H6BF4K — CID 131232563

IUPACpotassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide
SMILESFc1ccccc1/C=C/[B-](F)(F)F.[K+]
InChIInChI=1S/C8H6BF4.K/c10-8-4-2-1-3-7(8)5-6-9(11,12)13;/h1-6H;/q-1;+1/b6-5+;
InChIKeyDCJSTENBYAJWII-IPZCTEOASA-N
MW228.04 g/mol
LogP0.23
Rot. Bonds2

About potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide

potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide (PubChem CID 131232563) has the molecular formula C8H6BF4K and a molecular weight of 228.04 g/mol. Its IUPAC name is potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide
PubChem CID131232563
Molecular FormulaC8H6BF4K
Molecular Weight228.04 g/mol
Exact Mass228.01
IUPAC Namepotassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide
SMILESFc1ccccc1/C=C/[B-](F)(F)F.[K+]
InChIInChI=1S/C8H6BF4.K/c10-8-4-2-1-3-7(8)5-6-9(11,12)13;/h1-6H;/q-1;+1/b6-5+;
InChIKeyDCJSTENBYAJWII-IPZCTEOASA-N
XLogP0.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.04
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[(Z)-2-phenylethenyl]boranuide
CID 23671305
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
potassium (E)-2-(2-fluorophenyl)ethenesulfonate
CID 138974448
3-(2-fluorophenyl)prop-2-ene-1-thiol
CID 169454551
1-but-1-en-3-ynyl-2-fluorobenzene
CID 123247882
(E)-3-(2-fluorophenyl)prop-2-enenitrile
CID 11062531
1,4-difluoro-2-[(E)-2-(2-fluorophenyl)ethenyl]benzene
CID 134146382
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
CID 139410586
1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 10036098
1-fluoro-2-[(E)-2-(2-isocyanophenyl)ethenyl]benzene
CID 122188174
1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene
CID 84820301
1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 84848856

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide?
The IUPAC name of potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide (CID 131232563) is potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide?
The canonical SMILES for potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide is Fc1ccccc1/C=C/[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide?
The InChIKey is DCJSTENBYAJWII-IPZCTEOASA-N. The full InChI is InChI=1S/C8H6BF4.K/c10-8-4-2-1-3-7(8)5-6-9(11,12)13;/h1-6H;/q-1;+1/b6-5+;.
What are the key properties of potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide?
potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide has a molecular weight of 228.04 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide is sourced from PubChem (CID 131232563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).