potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide

C15H13BF3K — CID 134876226

IUPACpotassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide
SMILESCc1ccc(/C=C(\c2ccccc2)[B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C15H13BF3.K/c1-12-7-9-13(10-8-12)11-15(16(17,18)19)14-5-3-2-4-6-14;/h2-11H,1H3;/q-1;+1/b15-11+;
InChIKeyGIGLYXPODHNHBK-KRWCAOSLSA-N
MW300.17 g/mol
LogP1.93
Rot. Bonds3

About potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide

potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide (PubChem CID 134876226) has the molecular formula C15H13BF3K and a molecular weight of 300.17 g/mol. Its IUPAC name is potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide
PubChem CID134876226
Molecular FormulaC15H13BF3K
Molecular Weight300.17 g/mol
Exact Mass300.07
IUPAC Namepotassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide
SMILESCc1ccc(/C=C(\c2ccccc2)[B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C15H13BF3.K/c1-12-7-9-13(10-8-12)11-15(16(17,18)19)14-5-3-2-4-6-14;/h2-11H,1H3;/q-1;+1/b15-11+;
InChIKeyGIGLYXPODHNHBK-KRWCAOSLSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-bromo-2-phenylethenyl]-4-methylbenzene
CID 102070400
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
2-[(4-methylphenyl)methylidene]-1-phenylbutane-1,3-dione
CID 23267679
[(E)-1-fluoro-2-(4-methylphenyl)ethenyl] benzoate
CID 135004942
(Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 102229425
N-[4-(2,2-diphenylethenyl)phenyl]-N,4-dimethylaniline
CID 14549602
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene
CID 71562360
1-(2,2-difluoroethenyl)-4-methylbenzene
CID 6424286
(1Z)-4-methyl-1-(4-methylphenyl)-2-phenylpenta-1,4-dien-3-ol
CID 142404372
1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene
CID 15417412
1-[(Z)-1-bromo-2-phenylethenyl]-4-methylbenzene
CID 15417413

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide?
The IUPAC name of potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide (CID 134876226) is potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide?
The canonical SMILES for potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide is Cc1ccc(/C=C(\c2ccccc2)[B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide?
The InChIKey is GIGLYXPODHNHBK-KRWCAOSLSA-N. The full InChI is InChI=1S/C15H13BF3.K/c1-12-7-9-13(10-8-12)11-15(16(17,18)19)14-5-3-2-4-6-14;/h2-11H,1H3;/q-1;+1/b15-11+;.
What are the key properties of potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide?
potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide has a molecular weight of 300.17 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide is sourced from PubChem (CID 134876226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).