potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide

C11H16BF3KNO — CID 114525782

IUPACpotassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide
SMILESCN(C)CCCOc1cccc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C11H16BF3NO.K/c1-16(2)7-4-8-17-11-6-3-5-10(9-11)12(13,14)15;/h3,5-6,9H,4,7-8H2,1-2H3;/q-1;+1
InChIKeyXQGFNNJCQDJFOD-UHFFFAOYSA-N
MW285.16 g/mol
LogP-0.92
Rot. Bonds6

About potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide

potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide (PubChem CID 114525782) has the molecular formula C11H16BF3KNO and a molecular weight of 285.16 g/mol. Its IUPAC name is potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide
PubChem CID114525782
Molecular FormulaC11H16BF3KNO
Molecular Weight285.16 g/mol
Exact Mass285.09
IUPAC Namepotassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide
SMILESCN(C)CCCOc1cccc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C11H16BF3NO.K/c1-16(2)7-4-8-17-11-6-3-5-10(9-11)12(13,14)15;/h3,5-6,9H,4,7-8H2,1-2H3;/q-1;+1
InChIKeyXQGFNNJCQDJFOD-UHFFFAOYSA-N
XLogP-0.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 5-0.92
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 (3-butoxyphenyl)-trifluoroboranuide
CID 63678259
potassium trifluoro-(3-pentoxyphenyl)boranuide
CID 63676807
trifluoro-(3-propoxyphenyl)boranuide
CID 63676814
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
[3-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63675848
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide
CID 103180900
potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide
CID 65369936
1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
CID 112508038
potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide
CID 63678299

Frequently Asked Questions

What is the IUPAC name of potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide?
The IUPAC name of potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide (CID 114525782) is potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide?
The canonical SMILES for potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide is CN(C)CCCOc1cccc([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide?
The InChIKey is XQGFNNJCQDJFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BF3NO.K/c1-16(2)7-4-8-17-11-6-3-5-10(9-11)12(13,14)15;/h3,5-6,9H,4,7-8H2,1-2H3;/q-1;+1.
What are the key properties of potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide?
potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide has a molecular weight of 285.16 g/mol, XLogP of -0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide is sourced from PubChem (CID 114525782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).