potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide

C12H9BF3KO2 — CID 166000497

IUPACpotassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide
SMILESCOC(=O)c1ccc([B-](F)(F)F)c2ccccc12.[K+]
InChIInChI=1S/C12H9BF3O2.K/c1-18-12(17)10-6-7-11(13(14,15)16)9-5-3-2-4-8(9)10;/h2-7H,1H3;/q-1;+1
InChIKeyQKVROIIXNLIMQV-UHFFFAOYSA-N
MW292.11 g/mol
LogP-0.32
Rot. Bonds2

About potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide

potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide (PubChem CID 166000497) has the molecular formula C12H9BF3KO2 and a molecular weight of 292.11 g/mol. Its IUPAC name is potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide
PubChem CID166000497
Molecular FormulaC12H9BF3KO2
Molecular Weight292.11 g/mol
Exact Mass292.03
IUPAC Namepotassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide
SMILESCOC(=O)c1ccc([B-](F)(F)F)c2ccccc12.[K+]
InChIInChI=1S/C12H9BF3O2.K/c1-18-12(17)10-6-7-11(13(14,15)16)9-5-3-2-4-8(9)10;/h2-7H,1H3;/q-1;+1
InChIKeyQKVROIIXNLIMQV-UHFFFAOYSA-N
XLogP-0.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
methyl 4-formylnaphthalene-1-carboxylate
CID 10330854
methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate
CID 121333803
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate
CID 169271541
methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride
CID 67187321
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxylate
CID 22171326

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide?
The IUPAC name of potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide (CID 166000497) is potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide.
What is the SMILES notation for potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide?
The canonical SMILES for potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide is COC(=O)c1ccc([B-](F)(F)F)c2ccccc12.[K+].
What is the InChIKey of potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide?
The InChIKey is QKVROIIXNLIMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BF3O2.K/c1-18-12(17)10-6-7-11(13(14,15)16)9-5-3-2-4-8(9)10;/h2-7H,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide?
potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide has a molecular weight of 292.11 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide is sourced from PubChem (CID 166000497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).