potassium trifluoro-(3-pentoxyphenyl)boranuide

C11H15BF3KO — CID 63676807

IUPACpotassium trifluoro-(3-pentoxyphenyl)boranuide
SMILESCCCCCOc1cccc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C11H15BF3O.K/c1-2-3-4-8-16-11-7-5-6-10(9-11)12(13,14)15;/h5-7,9H,2-4,8H2,1H3;/q-1;+1
InChIKeyDSPOZKGAFDTORF-UHFFFAOYSA-N
MW270.14 g/mol
LogP0.31
Rot. Bonds6

About potassium trifluoro-(3-pentoxyphenyl)boranuide

potassium trifluoro-(3-pentoxyphenyl)boranuide (PubChem CID 63676807) has the molecular formula C11H15BF3KO and a molecular weight of 270.14 g/mol. Its IUPAC name is potassium trifluoro-(3-pentoxyphenyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(3-pentoxyphenyl)boranuide
PubChem CID63676807
Molecular FormulaC11H15BF3KO
Molecular Weight270.14 g/mol
Exact Mass270.08
IUPAC Namepotassium trifluoro-(3-pentoxyphenyl)boranuide
SMILESCCCCCOc1cccc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C11H15BF3O.K/c1-2-3-4-8-16-11-7-5-6-10(9-11)12(13,14)15;/h5-7,9H,2-4,8H2,1H3;/q-1;+1
InChIKeyDSPOZKGAFDTORF-UHFFFAOYSA-N
XLogP0.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 50.31
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 (3-butoxyphenyl)-trifluoroboranuide
CID 63678259
trifluoro-(3-propoxyphenyl)boranuide
CID 63676814
[3-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63675848
potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide
CID 114525782
1,3-dihexadecoxybenzene
CID 12686834
potassium trifluoro-(4-hexoxyphenyl)boranuide
CID 63677675
potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide
CID 65369936
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide
CID 103180900
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide
CID 63675475

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(3-pentoxyphenyl)boranuide?
The IUPAC name of potassium trifluoro-(3-pentoxyphenyl)boranuide (CID 63676807) is potassium trifluoro-(3-pentoxyphenyl)boranuide.
What is the SMILES notation for potassium trifluoro-(3-pentoxyphenyl)boranuide?
The canonical SMILES for potassium trifluoro-(3-pentoxyphenyl)boranuide is CCCCCOc1cccc([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium trifluoro-(3-pentoxyphenyl)boranuide?
The InChIKey is DSPOZKGAFDTORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BF3O.K/c1-2-3-4-8-16-11-7-5-6-10(9-11)12(13,14)15;/h5-7,9H,2-4,8H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-(3-pentoxyphenyl)boranuide?
potassium trifluoro-(3-pentoxyphenyl)boranuide has a molecular weight of 270.14 g/mol, XLogP of 0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(3-pentoxyphenyl)boranuide is sourced from PubChem (CID 63676807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).