potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide

C10H7BF3KO2 — CID 170902365

IUPACpotassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide
SMILESCc1cc(=O)oc2cc([B-](F)(F)F)ccc12.[K+]
InChIInChI=1S/C10H7BF3O2.K/c1-6-4-10(15)16-9-5-7(11(12,13)14)2-3-8(6)9;/h2-5H,1H3;/q-1;+1
InChIKeyFQPDAHZKKPKNPL-UHFFFAOYSA-N
MW266.07 g/mol
LogP-0.84
Rot. Bonds1

About potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide

potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide (PubChem CID 170902365) has the molecular formula C10H7BF3KO2 and a molecular weight of 266.07 g/mol. Its IUPAC name is potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide
PubChem CID170902365
Molecular FormulaC10H7BF3KO2
Molecular Weight266.07 g/mol
Exact Mass266.01
IUPAC Namepotassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide
SMILESCc1cc(=O)oc2cc([B-](F)(F)F)ccc12.[K+]
InChIInChI=1S/C10H7BF3O2.K/c1-6-4-10(15)16-9-5-7(11(12,13)14)2-3-8(6)9;/h2-5H,1H3;/q-1;+1
InChIKeyFQPDAHZKKPKNPL-UHFFFAOYSA-N
XLogP-0.84
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.07
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 89064299
CID 89064299
7-isocyano-4-methylchromen-2-one
CID 12971176
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
7-ethyl-4-methylchromen-2-one
CID 5160585
4-methyl-7-nitrosochromen-2-one
CID 122373464
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
potassium (4-methyl-2-oxochromen-7-yl) sulfate
CID 5044226
4-methyl-7-methylsulfinylchromen-2-one
CID 162642075
7-(dibutylamino)-4-methylchromen-2-one
CID 57354868
(4-methyl-2-oxochromen-7-yl) trifluoromethanesulfonate
CID 59776431
7-(diethylamino)-4-methylchromen-2-one sulfate
CID 23622381

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide?
The IUPAC name of potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide (CID 170902365) is potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide.
What is the SMILES notation for potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide?
The canonical SMILES for potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide is Cc1cc(=O)oc2cc([B-](F)(F)F)ccc12.[K+].
What is the InChIKey of potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide?
The InChIKey is FQPDAHZKKPKNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BF3O2.K/c1-6-4-10(15)16-9-5-7(11(12,13)14)2-3-8(6)9;/h2-5H,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide?
potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide has a molecular weight of 266.07 g/mol, XLogP of -0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(4-methyl-2-oxochromen-7-yl)boranuide is sourced from PubChem (CID 170902365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).