potassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide

C9H11BF3KO — CID 63676993

IUPACpotassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide
SMILESCOCCc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C9H11BF3O.K/c1-14-7-6-8-2-4-9(5-3-8)10(11,12)13;/h2-5H,6-7H2,1H3;/q-1;+1
InChIKeyCNVAAVZUBDSGEW-UHFFFAOYSA-N
MW242.09 g/mol
LogP-1.07
Rot. Bonds4

About potassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide

potassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide (PubChem CID 63676993) has the molecular formula C9H11BF3KO and a molecular weight of 242.09 g/mol. Its IUPAC name is potassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide
PubChem CID63676993
Molecular FormulaC9H11BF3KO
Molecular Weight242.09 g/mol
Exact Mass242.05
IUPAC Namepotassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide
SMILESCOCCc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C9H11BF3O.K/c1-14-7-6-8-2-4-9(5-3-8)10(11,12)13;/h2-5H,6-7H2,1H3;/q-1;+1
InChIKeyCNVAAVZUBDSGEW-UHFFFAOYSA-N
XLogP-1.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 5-1.07
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-[4-(2-methoxyethyl)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide (CID 63676993) is potassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide is COCCc1ccc([B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide?
The InChIKey is CNVAAVZUBDSGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BF3O.K/c1-14-7-6-8-2-4-9(5-3-8)10(11,12)13;/h2-5H,6-7H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide?
potassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide has a molecular weight of 242.09 g/mol, XLogP of -1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide is sourced from PubChem (CID 63676993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).