potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide

C10H11BF3KO — CID 57415755

IUPACpotassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide
SMILESC=C(COCc1ccccc1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H11BF3O.K/c1-9(11(12,13)14)7-15-8-10-5-3-2-4-6-10;/h2-6H,1,7-8H2;/q-1;+1
InChIKeyAMNWAVHQPFENRW-UHFFFAOYSA-N
MW254.10 g/mol
LogP0.15
Rot. Bonds5

About potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide

potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide (PubChem CID 57415755) has the molecular formula C10H11BF3KO and a molecular weight of 254.10 g/mol. Its IUPAC name is potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide
PubChem CID57415755
Molecular FormulaC10H11BF3KO
Molecular Weight254.10 g/mol
Exact Mass254.05
IUPAC Namepotassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide
SMILESC=C(COCc1ccccc1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H11BF3O.K/c1-9(11(12,13)14)7-15-8-10-5-3-2-4-6-10;/h2-6H,1,7-8H2;/q-1;+1
InChIKeyAMNWAVHQPFENRW-UHFFFAOYSA-N
XLogP0.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(methylamino)-3-phenylmethoxypropan-2-one
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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide?
The IUPAC name of potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide (CID 57415755) is potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide.
What is the SMILES notation for potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide?
The canonical SMILES for potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide is C=C(COCc1ccccc1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide?
The InChIKey is AMNWAVHQPFENRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BF3O.K/c1-9(11(12,13)14)7-15-8-10-5-3-2-4-6-10;/h2-6H,1,7-8H2;/q-1;+1.
What are the key properties of potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide?
potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide has a molecular weight of 254.10 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide is sourced from PubChem (CID 57415755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).