potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide

C12H17BF3KO2 — CID 63678054

IUPACpotassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
SMILESCCCCOCCOc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C12H17BF3O2.K/c1-2-3-8-17-9-10-18-12-6-4-11(5-7-12)13(14,15)16;/h4-7H,2-3,8-10H2,1H3;/q-1;+1
InChIKeyZJLOLPCMNUPRDE-UHFFFAOYSA-N
MW300.17 g/mol
LogP-0.06
Rot. Bonds8

About potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide

potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide (PubChem CID 63678054) has the molecular formula C12H17BF3KO2 and a molecular weight of 300.17 g/mol. Its IUPAC name is potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
PubChem CID63678054
Molecular FormulaC12H17BF3KO2
Molecular Weight300.17 g/mol
Exact Mass300.09
IUPAC Namepotassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
SMILESCCCCOCCOc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C12H17BF3O2.K/c1-2-3-8-17-9-10-18-12-6-4-11(5-7-12)13(14,15)16;/h4-7H,2-3,8-10H2,1H3;/q-1;+1
InChIKeyZJLOLPCMNUPRDE-UHFFFAOYSA-N
XLogP-0.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678055
potassium trifluoro-(4-hexoxyphenyl)boranuide
CID 63677675
[3-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63675848
potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677653
potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide
CID 106454185
trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677654
trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide
CID 104648207
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
1-(2-butoxyethoxy)-4-iodobenzene
CID 25259264
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
potassium (3-butoxyphenyl)-trifluoroboranuide
CID 63678259

Frequently Asked Questions

What is the IUPAC name of potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide?
The IUPAC name of potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide (CID 63678054) is potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide?
The canonical SMILES for potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide is CCCCOCCOc1ccc([B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide?
The InChIKey is ZJLOLPCMNUPRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BF3O2.K/c1-2-3-8-17-9-10-18-12-6-4-11(5-7-12)13(14,15)16;/h4-7H,2-3,8-10H2,1H3;/q-1;+1.
What are the key properties of potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide?
potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide has a molecular weight of 300.17 g/mol, XLogP of -0.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide is sourced from PubChem (CID 63678054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).