potassium (3-ethylphenoxy)methyl-trifluoroboranuide

C9H11BF3KO — CID 63703906

IUPACpotassium (3-ethylphenoxy)methyl-trifluoroboranuide
SMILESCCc1cccc(OC[B-](F)(F)F)c1.[K+]
InChIInChI=1S/C9H11BF3O.K/c1-2-8-4-3-5-9(6-8)14-7-10(11,12)13;/h3-6H,2,7H2,1H3;/q-1;+1
InChIKeyWJZCTYHANMITSS-UHFFFAOYSA-N
MW242.09 g/mol
LogP0.02
Rot. Bonds4

About potassium (3-ethylphenoxy)methyl-trifluoroboranuide

potassium (3-ethylphenoxy)methyl-trifluoroboranuide (PubChem CID 63703906) has the molecular formula C9H11BF3KO and a molecular weight of 242.09 g/mol. Its IUPAC name is potassium (3-ethylphenoxy)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (3-ethylphenoxy)methyl-trifluoroboranuide
PubChem CID63703906
Molecular FormulaC9H11BF3KO
Molecular Weight242.09 g/mol
Exact Mass242.05
IUPAC Namepotassium (3-ethylphenoxy)methyl-trifluoroboranuide
SMILESCCc1cccc(OC[B-](F)(F)F)c1.[K+]
InChIInChI=1S/C9H11BF3O.K/c1-2-8-4-3-5-9(6-8)14-7-10(11,12)13;/h3-6H,2,7H2,1H3;/q-1;+1
InChIKeyWJZCTYHANMITSS-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium (3-ethylphenoxy)methyl-trifluoroboranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
potassium (4-chloro-3-ethylphenoxy)methyl-trifluoroboranuide
CID 63701817
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
(3-ethylphenyl) hypoiodite
CID 71211599
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene
CID 79173400

Frequently Asked Questions

What is the IUPAC name of potassium (3-ethylphenoxy)methyl-trifluoroboranuide?
The IUPAC name of potassium (3-ethylphenoxy)methyl-trifluoroboranuide (CID 63703906) is potassium (3-ethylphenoxy)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (3-ethylphenoxy)methyl-trifluoroboranuide?
The canonical SMILES for potassium (3-ethylphenoxy)methyl-trifluoroboranuide is CCc1cccc(OC[B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium (3-ethylphenoxy)methyl-trifluoroboranuide?
The InChIKey is WJZCTYHANMITSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BF3O.K/c1-2-8-4-3-5-9(6-8)14-7-10(11,12)13;/h3-6H,2,7H2,1H3;/q-1;+1.
What are the key properties of potassium (3-ethylphenoxy)methyl-trifluoroboranuide?
potassium (3-ethylphenoxy)methyl-trifluoroboranuide has a molecular weight of 242.09 g/mol, XLogP of 0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3-ethylphenoxy)methyl-trifluoroboranuide is sourced from PubChem (CID 63703906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).