potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide

C9H13BF3KO2 — CID 155822267

IUPACpotassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide
SMILESCOC(=O)/C=C(\C1CCCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H13BF3O2.K/c1-15-9(14)6-8(10(11,12)13)7-4-2-3-5-7;/h6-7H,2-5H2,1H3;/q-1;+1/b8-6+;
InChIKeySVCKXMLQELVTNF-WVLIHFOGSA-N
MW260.10 g/mol
LogP-0.33
Rot. Bonds3

About potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide

potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide (PubChem CID 155822267) has the molecular formula C9H13BF3KO2 and a molecular weight of 260.10 g/mol. Its IUPAC name is potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide
PubChem CID155822267
Molecular FormulaC9H13BF3KO2
Molecular Weight260.10 g/mol
Exact Mass260.06
IUPAC Namepotassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide
SMILESCOC(=O)/C=C(\C1CCCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H13BF3O2.K/c1-15-9(14)6-8(10(11,12)13)7-4-2-3-5-7;/h6-7H,2-5H2,1H3;/q-1;+1/b8-6+;
InChIKeySVCKXMLQELVTNF-WVLIHFOGSA-N
XLogP-0.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide?
The IUPAC name of potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide (CID 155822267) is potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide.
What is the SMILES notation for potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide?
The canonical SMILES for potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide is COC(=O)/C=C(\C1CCCC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide?
The InChIKey is SVCKXMLQELVTNF-WVLIHFOGSA-N. The full InChI is InChI=1S/C9H13BF3O2.K/c1-15-9(14)6-8(10(11,12)13)7-4-2-3-5-7;/h6-7H,2-5H2,1H3;/q-1;+1/b8-6+;.
What are the key properties of potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide?
potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide has a molecular weight of 260.10 g/mol, XLogP of -0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [(Z)-1-cyclopentyl-3-methoxy-3-oxoprop-1-enyl]-trifluoroboranuide is sourced from PubChem (CID 155822267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).