potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide

C10H11BF3K — CID 23677745

IUPACpotassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide
SMILESF[B-](F)(F)/C=C\CCc1ccccc1.[K+]
InChIInChI=1S/C10H11BF3.K/c12-11(13,14)9-5-4-8-10-6-2-1-3-7-10;/h1-3,5-7,9H,4,8H2;/q-1;+1/b9-5-;
InChIKeyQYHYWRWTTAOMHW-UYTGOYFPSA-N
MW238.10 g/mol
LogP0.57
Rot. Bonds4

About potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide

potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide (PubChem CID 23677745) has the molecular formula C10H11BF3K and a molecular weight of 238.10 g/mol. Its IUPAC name is potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide
PubChem CID23677745
Molecular FormulaC10H11BF3K
Molecular Weight238.10 g/mol
Exact Mass238.05
IUPAC Namepotassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide
SMILESF[B-](F)(F)/C=C\CCc1ccccc1.[K+]
InChIInChI=1S/C10H11BF3.K/c12-11(13,14)9-5-4-8-10-6-2-1-3-7-10;/h1-3,5-7,9H,4,8H2;/q-1;+1/b9-5-;
InChIKeyQYHYWRWTTAOMHW-UYTGOYFPSA-N
XLogP0.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 50.57
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

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potassium trifluoro-[(Z)-2-phenylethenyl]boranuide
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[(3E)-6,6-difluorohexa-3,5-dienyl]benzene
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[(Z)-5,5-dimethoxypent-3-enyl]benzene
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[(3E,5Z)-hepta-3,5-dienyl]benzene
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hepta-3,5-dienylbenzene
CID 54230830
7-phenylhepta-2,4-dien-1-ol
CID 123622539
CID 166444141
CID 166444141
(2R)-2-hydroxy-6-phenylhex-3-enoic acid
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CID 169432340

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide?
The IUPAC name of potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide (CID 23677745) is potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide?
The canonical SMILES for potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide is F[B-](F)(F)/C=C\CCc1ccccc1.[K+].
What is the InChIKey of potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide?
The InChIKey is QYHYWRWTTAOMHW-UYTGOYFPSA-N. The full InChI is InChI=1S/C10H11BF3.K/c12-11(13,14)9-5-4-8-10-6-2-1-3-7-10;/h1-3,5-7,9H,4,8H2;/q-1;+1/b9-5-;.
What are the key properties of potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide?
potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide has a molecular weight of 238.10 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide is sourced from PubChem (CID 23677745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).