potassium trifluoro-(4-hexoxyphenyl)boranuide

C12H17BF3KO — CID 63677675

IUPACpotassium trifluoro-(4-hexoxyphenyl)boranuide
SMILESCCCCCCOc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C12H17BF3O.K/c1-2-3-4-5-10-17-12-8-6-11(7-9-12)13(14,15)16;/h6-9H,2-5,10H2,1H3;/q-1;+1
InChIKeyMNYDDPGBKOVRHA-UHFFFAOYSA-N
MW284.17 g/mol
LogP0.70
Rot. Bonds7

About potassium trifluoro-(4-hexoxyphenyl)boranuide

potassium trifluoro-(4-hexoxyphenyl)boranuide (PubChem CID 63677675) has the molecular formula C12H17BF3KO and a molecular weight of 284.17 g/mol. Its IUPAC name is potassium trifluoro-(4-hexoxyphenyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(4-hexoxyphenyl)boranuide
PubChem CID63677675
Molecular FormulaC12H17BF3KO
Molecular Weight284.17 g/mol
Exact Mass284.10
IUPAC Namepotassium trifluoro-(4-hexoxyphenyl)boranuide
SMILESCCCCCCOc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C12H17BF3O.K/c1-2-3-4-5-10-17-12-8-6-11(7-9-12)13(14,15)16;/h6-9H,2-5,10H2,1H3;/q-1;+1
InChIKeyMNYDDPGBKOVRHA-UHFFFAOYSA-N
XLogP0.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678054
[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678055
trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide
CID 104648207
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-dipentoxybenzene
CID 18314717
potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677653
potassium trifluoro-(3-pentoxyphenyl)boranuide
CID 63676807
potassium (3-butoxyphenyl)-trifluoroboranuide
CID 63678259
trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677654
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(4-hexoxyphenyl)boranuide?
The IUPAC name of potassium trifluoro-(4-hexoxyphenyl)boranuide (CID 63677675) is potassium trifluoro-(4-hexoxyphenyl)boranuide.
What is the SMILES notation for potassium trifluoro-(4-hexoxyphenyl)boranuide?
The canonical SMILES for potassium trifluoro-(4-hexoxyphenyl)boranuide is CCCCCCOc1ccc([B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium trifluoro-(4-hexoxyphenyl)boranuide?
The InChIKey is MNYDDPGBKOVRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BF3O.K/c1-2-3-4-5-10-17-12-8-6-11(7-9-12)13(14,15)16;/h6-9H,2-5,10H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-(4-hexoxyphenyl)boranuide?
potassium trifluoro-(4-hexoxyphenyl)boranuide has a molecular weight of 284.17 g/mol, XLogP of 0.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(4-hexoxyphenyl)boranuide is sourced from PubChem (CID 63677675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).