potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide

C12H17BF3KO2 — CID 106454185

IUPACpotassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide
SMILESCC(C)COCCOc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C12H17BF3O2.K/c1-10(2)9-17-7-8-18-12-5-3-11(4-6-12)13(14,15)16;/h3-6,10H,7-9H2,1-2H3;/q-1;+1
InChIKeyHBIYAWZVKKJJKQ-UHFFFAOYSA-N
MW300.17 g/mol
LogP-0.20
Rot. Bonds7

About potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide

potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide (PubChem CID 106454185) has the molecular formula C12H17BF3KO2 and a molecular weight of 300.17 g/mol. Its IUPAC name is potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide
PubChem CID106454185
Molecular FormulaC12H17BF3KO2
Molecular Weight300.17 g/mol
Exact Mass300.09
IUPAC Namepotassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide
SMILESCC(C)COCCOc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C12H17BF3O2.K/c1-10(2)9-17-7-8-18-12-5-3-11(4-6-12)13(14,15)16;/h3-6,10H,7-9H2,1-2H3;/q-1;+1
InChIKeyHBIYAWZVKKJJKQ-UHFFFAOYSA-N
XLogP-0.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 5-0.20
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

potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677653
potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678054
potassium trifluoro-[3-methyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide
CID 106454189
trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677654
[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678055
1-[2-(2-methylpropoxy)ethoxy]-4-(2-methylpropyl)benzene
CID 134169966
trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide
CID 63677658
1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene
CID 134183971
trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide
CID 104648207
potassium trifluoro-(4-hexoxyphenyl)boranuide
CID 63677675
2-fluoro-5-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106459965
1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide (CID 106454185) is potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide is CC(C)COCCOc1ccc([B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide?
The InChIKey is HBIYAWZVKKJJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BF3O2.K/c1-10(2)9-17-7-8-18-12-5-3-11(4-6-12)13(14,15)16;/h3-6,10H,7-9H2,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide?
potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide has a molecular weight of 300.17 g/mol, XLogP of -0.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide is sourced from PubChem (CID 106454185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).