potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide

C10H8BF6KO — CID 106746513

IUPACpotassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide
SMILESC=C(COc1ccccc1C(F)(F)F)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H8BF6O.K/c1-7(11(15,16)17)6-18-9-5-3-2-4-8(9)10(12,13)14;/h2-5H,1,6H2;/q-1;+1
InChIKeyMCADMHAZCAJMPI-UHFFFAOYSA-N
MW308.07 g/mol
LogP1.03
Rot. Bonds4

About potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide

potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide (PubChem CID 106746513) has the molecular formula C10H8BF6KO and a molecular weight of 308.07 g/mol. Its IUPAC name is potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide
PubChem CID106746513
Molecular FormulaC10H8BF6KO
Molecular Weight308.07 g/mol
Exact Mass308.02
IUPAC Namepotassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide
SMILESC=C(COc1ccccc1C(F)(F)F)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H8BF6O.K/c1-7(11(15,16)17)6-18-9-5-3-2-4-8(9)10(12,13)14;/h2-5H,1,6H2;/q-1;+1
InChIKeyMCADMHAZCAJMPI-UHFFFAOYSA-N
XLogP1.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.07
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide (CID 106746513) is potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide is C=C(COc1ccccc1C(F)(F)F)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide?
The InChIKey is MCADMHAZCAJMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BF6O.K/c1-7(11(15,16)17)6-18-9-5-3-2-4-8(9)10(12,13)14;/h2-5H,1,6H2;/q-1;+1.
What are the key properties of potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide has a molecular weight of 308.07 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).