potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide

C11H13BF3KO2 — CID 104706192

IUPACpotassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide
SMILESC=CC(C)Oc1ccc(OC)cc1[B-](F)(F)F.[K+]
InChIInChI=1S/C11H13BF3O2.K/c1-4-8(2)17-11-6-5-9(16-3)7-10(11)12(13,14)15;/h4-8H,1H2,2-3H3;/q-1;+1
InChIKeyNKZRMKYVPMKVFO-UHFFFAOYSA-N
MW284.13 g/mol
LogP-0.29
Rot. Bonds5

About potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide

potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide (PubChem CID 104706192) has the molecular formula C11H13BF3KO2 and a molecular weight of 284.13 g/mol. Its IUPAC name is potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide
PubChem CID104706192
Molecular FormulaC11H13BF3KO2
Molecular Weight284.13 g/mol
Exact Mass284.06
IUPAC Namepotassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide
SMILESC=CC(C)Oc1ccc(OC)cc1[B-](F)(F)F.[K+]
InChIInChI=1S/C11H13BF3O2.K/c1-4-8(2)17-11-6-5-9(16-3)7-10(11)12(13,14)15;/h4-8H,1H2,2-3H3;/q-1;+1
InChIKeyNKZRMKYVPMKVFO-UHFFFAOYSA-N
XLogP-0.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine
CID 62389675
2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid
CID 139576547
trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide
CID 104706273
[2-[3-(dimethylamino)propoxy]-5-methoxyphenyl]-trifluoroboranuide
CID 114525803
potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide
CID 104706284
potassium trifluoro-[5-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 104706270
(2-chloro-5-methoxyphenyl)-trifluoroboranuide
CID 63675456
potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
CID 113443476
methyl 2-but-3-en-2-yloxy-5-fluorobenzoate
CID 170553481
potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135604
1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone
CID 62382500
2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene
CID 118316335

Frequently Asked Questions

What is the IUPAC name of potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide?
The IUPAC name of potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide (CID 104706192) is potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide.
What is the SMILES notation for potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide?
The canonical SMILES for potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide is C=CC(C)Oc1ccc(OC)cc1[B-](F)(F)F.[K+].
What is the InChIKey of potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide?
The InChIKey is NKZRMKYVPMKVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BF3O2.K/c1-4-8(2)17-11-6-5-9(16-3)7-10(11)12(13,14)15;/h4-8H,1H2,2-3H3;/q-1;+1.
What are the key properties of potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide?
potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide has a molecular weight of 284.13 g/mol, XLogP of -0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide is sourced from PubChem (CID 104706192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).