potassium (3-butoxyphenyl)-trifluoroboranuide

C10H13BF3KO — CID 63678259

IUPACpotassium (3-butoxyphenyl)-trifluoroboranuide
SMILESCCCCOc1cccc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C10H13BF3O.K/c1-2-3-7-15-10-6-4-5-9(8-10)11(12,13)14;/h4-6,8H,2-3,7H2,1H3;/q-1;+1
InChIKeyRDNSFHORDVNNLE-UHFFFAOYSA-N
MW256.12 g/mol
LogP-0.08
Rot. Bonds5

About potassium (3-butoxyphenyl)-trifluoroboranuide

potassium (3-butoxyphenyl)-trifluoroboranuide (PubChem CID 63678259) has the molecular formula C10H13BF3KO and a molecular weight of 256.12 g/mol. Its IUPAC name is potassium (3-butoxyphenyl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (3-butoxyphenyl)-trifluoroboranuide
PubChem CID63678259
Molecular FormulaC10H13BF3KO
Molecular Weight256.12 g/mol
Exact Mass256.06
IUPAC Namepotassium (3-butoxyphenyl)-trifluoroboranuide
SMILESCCCCOc1cccc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C10H13BF3O.K/c1-2-3-7-15-10-6-4-5-9(8-10)11(12,13)14;/h4-6,8H,2-3,7H2,1H3;/q-1;+1
InChIKeyRDNSFHORDVNNLE-UHFFFAOYSA-N
XLogP-0.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 5-0.08
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 trifluoro-(3-pentoxyphenyl)boranuide
CID 63676807
[3-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63675848
trifluoro-(3-propoxyphenyl)boranuide
CID 63676814
potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide
CID 114525782
potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide
CID 65369936
potassium trifluoro-(4-hexoxyphenyl)boranuide
CID 63677675
trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide
CID 103180900
potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678054
1,3-dihexadecoxybenzene
CID 12686834
[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678055
potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63678267
potassium trifluoro-(4-heptoxy-2-methylphenyl)boranuide
CID 83140428

Frequently Asked Questions

What is the IUPAC name of potassium (3-butoxyphenyl)-trifluoroboranuide?
The IUPAC name of potassium (3-butoxyphenyl)-trifluoroboranuide (CID 63678259) is potassium (3-butoxyphenyl)-trifluoroboranuide.
What is the SMILES notation for potassium (3-butoxyphenyl)-trifluoroboranuide?
The canonical SMILES for potassium (3-butoxyphenyl)-trifluoroboranuide is CCCCOc1cccc([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium (3-butoxyphenyl)-trifluoroboranuide?
The InChIKey is RDNSFHORDVNNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BF3O.K/c1-2-3-7-15-10-6-4-5-9(8-10)11(12,13)14;/h4-6,8H,2-3,7H2,1H3;/q-1;+1.
What are the key properties of potassium (3-butoxyphenyl)-trifluoroboranuide?
potassium (3-butoxyphenyl)-trifluoroboranuide has a molecular weight of 256.12 g/mol, XLogP of -0.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3-butoxyphenyl)-trifluoroboranuide is sourced from PubChem (CID 63678259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).