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

C11H13BF3KO — CID 106746703

IUPACpotassium 3-(2-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(COc1ccccc1CC)[B-](F)(F)F.[K+]
InChIInChI=1S/C11H13BF3O.K/c1-3-10-6-4-5-7-11(10)16-8-9(2)12(13,14)15;/h4-7H,2-3,8H2,1H3;/q-1;+1
InChIKeyMHOBJIVTRUCCNP-UHFFFAOYSA-N
MW268.13 g/mol
LogP0.57
Rot. Bonds5

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

potassium 3-(2-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106746703) has the molecular formula C11H13BF3KO and a molecular weight of 268.13 g/mol. Its IUPAC name is potassium 3-(2-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-(2-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide
PubChem CID106746703
Molecular FormulaC11H13BF3KO
Molecular Weight268.13 g/mol
Exact Mass268.06
IUPAC Namepotassium 3-(2-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(COc1ccccc1CC)[B-](F)(F)F.[K+]
InChIInChI=1S/C11H13BF3O.K/c1-3-10-6-4-5-7-11(10)16-8-9(2)12(13,14)15;/h4-7H,2-3,8H2,1H3;/q-1;+1
InChIKeyMHOBJIVTRUCCNP-UHFFFAOYSA-N
XLogP0.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide
CID 106746513
3-(2-butan-2-ylphenoxy)prop-1-en-2-yl-trifluoroboranuide
CID 106746598
potassium 3-(4-chloro-3-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide
CID 106746709
potassium trifluoro-[3-(2-methylquinolin-8-yl)oxyprop-1-en-2-yl]boranuide
CID 106746695
2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
2-(2-ethylphenoxy)-N'-hydroxyethanimidamide
CID 43364299
1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412397
N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066925
2-(2-ethylphenoxy)-N-methylacetohydrazide
CID 116820495
ethane;1-ethyl-2-(2-fluoroethoxy)benzene
CID 170716854
N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
CID 166414704
(E)-4-(2-ethylphenoxy)-3-methylbut-2-enoic acid
CID 63775762

Frequently Asked Questions

What is the IUPAC name of potassium 3-(2-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-(2-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide (CID 106746703) is potassium 3-(2-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-(2-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-(2-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide is C=C(COc1ccccc1CC)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-(2-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is MHOBJIVTRUCCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BF3O.K/c1-3-10-6-4-5-7-11(10)16-8-9(2)12(13,14)15;/h4-7H,2-3,8H2,1H3;/q-1;+1.
What are the key properties of potassium 3-(2-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide?
potassium 3-(2-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 268.13 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(2-ethylphenoxy)prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106746703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).