potassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide

C9H8BClF3KO — CID 106746577

IUPACpotassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(COc1cccc(Cl)c1)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H8BClF3O.K/c1-7(10(12,13)14)6-15-9-4-2-3-8(11)5-9;/h2-5H,1,6H2;/q-1;+1
InChIKeyWVAMFXJJJKHNNR-UHFFFAOYSA-N
MW274.52 g/mol
LogP0.67
Rot. Bonds4

About potassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide

potassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106746577) has the molecular formula C9H8BClF3KO and a molecular weight of 274.52 g/mol. Its IUPAC name is potassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide
PubChem CID106746577
Molecular FormulaC9H8BClF3KO
Molecular Weight274.52 g/mol
Exact Mass273.99
IUPAC Namepotassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(COc1cccc(Cl)c1)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H8BClF3O.K/c1-7(10(12,13)14)6-15-9-4-2-3-8(11)5-9;/h2-5H,1,6H2;/q-1;+1
InChIKeyWVAMFXJJJKHNNR-UHFFFAOYSA-N
XLogP0.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.52
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium 3-(3-chlorophenoxy)prop-1-en-2-yl-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

3-(4-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide
CID 106746560
potassium 3-(4-chloro-3-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide
CID 106746709
2-[(3-chlorophenoxy)methyl]prop-2-enoic acid;hydrochloride
CID 70511499
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
phenyl 2-(3-chlorophenoxy)acetate
CID 19179107
1-(bromomethoxy)-3-chlorobenzene
CID 22961199
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
2-[2-(3-chlorophenoxy)ethoxy]ethanol
CID 10443322
1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 17122466
1-(3-chlorophenoxy)-3-ethoxypropan-2-one
CID 114553807
potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63675843

Frequently Asked Questions

What is the IUPAC name of potassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide (CID 106746577) is potassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide is C=C(COc1cccc(Cl)c1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is WVAMFXJJJKHNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BClF3O.K/c1-7(10(12,13)14)6-15-9-4-2-3-8(11)5-9;/h2-5H,1,6H2;/q-1;+1.
What are the key properties of potassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide?
potassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 274.52 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(3-chlorophenoxy)prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106746577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).