potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide

C12H13BF3KN2O — CID 114528509

IUPACpotassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide
SMILESCn1ccnc1CCOc1ccccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C12H13BF3N2O.K/c1-18-8-7-17-12(18)6-9-19-11-5-3-2-4-10(11)13(14,15)16;/h2-5,7-8H,6,9H2,1H3;/q-1;+1
InChIKeyXQSSVUQKFWWASW-UHFFFAOYSA-N
MW308.15 g/mol
LogP-0.90
Rot. Bonds5

About potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide

potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide (PubChem CID 114528509) has the molecular formula C12H13BF3KN2O and a molecular weight of 308.15 g/mol. Its IUPAC name is potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide
PubChem CID114528509
Molecular FormulaC12H13BF3KN2O
Molecular Weight308.15 g/mol
Exact Mass308.07
IUPAC Namepotassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide
SMILESCn1ccnc1CCOc1ccccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C12H13BF3N2O.K/c1-18-8-7-17-12(18)6-9-19-11-5-3-2-4-10(11)13(14,15)16;/h2-5,7-8H,6,9H2,1H3;/q-1;+1
InChIKeyXQSSVUQKFWWASW-UHFFFAOYSA-N
XLogP-0.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[5-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide
CID 114528517
2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole
CID 114527999
1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone
CID 114527954
2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528413
(NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine
CID 114528141
N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114527122
3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 114530828
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676799
5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 114527965
2-[2-[2-(3-chloroprop-1-ynyl)-5-fluorophenoxy]ethyl]-1-methylimidazole
CID 114530868
4-[2-(1-methylimidazol-2-yl)ethoxy]phenol
CID 114528497

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide (CID 114528509) is potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide is Cn1ccnc1CCOc1ccccc1[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide?
The InChIKey is XQSSVUQKFWWASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BF3N2O.K/c1-18-8-7-17-12(18)6-9-19-11-5-3-2-4-10(11)13(14,15)16;/h2-5,7-8H,6,9H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide?
potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide has a molecular weight of 308.15 g/mol, XLogP of -0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide is sourced from PubChem (CID 114528509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).