potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide

C11H12BF4KO — CID 114674983

IUPACpotassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide
SMILESFc1ccc([B-](F)(F)F)cc1OCC1CCC1.[K+]
InChIInChI=1S/C11H12BF4O.K/c13-10-5-4-9(12(14,15)16)6-11(10)17-7-8-2-1-3-8;/h4-6,8H,1-3,7H2;/q-1;+1
InChIKeyGKJCNNWMMIVHQU-UHFFFAOYSA-N
MW286.12 g/mol
LogP0.06
Rot. Bonds4

About potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide

potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide (PubChem CID 114674983) has the molecular formula C11H12BF4KO and a molecular weight of 286.12 g/mol. Its IUPAC name is potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide
PubChem CID114674983
Molecular FormulaC11H12BF4KO
Molecular Weight286.12 g/mol
Exact Mass286.06
IUPAC Namepotassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide
SMILESFc1ccc([B-](F)(F)F)cc1OCC1CCC1.[K+]
InChIInChI=1S/C11H12BF4O.K/c13-10-5-4-9(12(14,15)16)6-11(10)17-7-8-2-1-3-8;/h4-6,8H,1-3,7H2;/q-1;+1
InChIKeyGKJCNNWMMIVHQU-UHFFFAOYSA-N
XLogP0.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114675089
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene
CID 135194896
2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene
CID 131315534
[3-(cyclohexylmethoxy)phenyl]-trifluoroboranuide
CID 55232578
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropan-1-amine
CID 134541422
trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 114674892
2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene
CID 58479337
potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide
CID 114674955
potassium trifluoro-[4-fluoro-3-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705337
trifluoro-(4-fluoro-3-methoxyphenyl)boranuide
CID 112694622
3-[3-(cyclohexylmethoxy)-4-fluorophenyl]prop-2-yn-1-amine
CID 114675760

Frequently Asked Questions

What is the IUPAC name of potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide?
The IUPAC name of potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide (CID 114674983) is potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide?
The canonical SMILES for potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide is Fc1ccc([B-](F)(F)F)cc1OCC1CCC1.[K+].
What is the InChIKey of potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide?
The InChIKey is GKJCNNWMMIVHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BF4O.K/c13-10-5-4-9(12(14,15)16)6-11(10)17-7-8-2-1-3-8;/h4-6,8H,1-3,7H2;/q-1;+1.
What are the key properties of potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide?
potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide has a molecular weight of 286.12 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide is sourced from PubChem (CID 114674983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).