potassium cyclobutylmethoxymethyl(trifluoro)boranuide

C6H11BF3KO — CID 76850121

IUPACpotassium cyclobutylmethoxymethyl(trifluoro)boranuide
SMILESF[B-](F)(F)COCC1CCC1.[K+]
InChIInChI=1S/C6H11BF3O.K/c8-7(9,10)5-11-4-6-2-1-3-6;/h6H,1-5H2;/q-1;+1
InChIKeyVNBPGTVAWCUVBY-UHFFFAOYSA-N
MW206.06 g/mol
LogP-0.81
Rot. Bonds4

About potassium cyclobutylmethoxymethyl(trifluoro)boranuide

potassium cyclobutylmethoxymethyl(trifluoro)boranuide (PubChem CID 76850121) has the molecular formula C6H11BF3KO and a molecular weight of 206.06 g/mol. Its IUPAC name is potassium cyclobutylmethoxymethyl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium cyclobutylmethoxymethyl(trifluoro)boranuide
PubChem CID76850121
Molecular FormulaC6H11BF3KO
Molecular Weight206.06 g/mol
Exact Mass206.05
IUPAC Namepotassium cyclobutylmethoxymethyl(trifluoro)boranuide
SMILESF[B-](F)(F)COCC1CCC1.[K+]
InChIInChI=1S/C6H11BF3O.K/c8-7(9,10)5-11-4-6-2-1-3-6;/h6H,1-5H2;/q-1;+1
InChIKeyVNBPGTVAWCUVBY-UHFFFAOYSA-N
XLogP-0.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.06
LogP ≤ 5-0.81
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

3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide
CID 106746762
cyclohexylmethoxymethylcyclohexane;hydroxylamine
CID 67759423
cyclopropylmethoxymethylcyclopropane;hydron
CID 175036707
cyclohexylmethoxymethylsilane
CID 71346354
ethoxymethylcyclooctane
CID 70370569
trifluoromethoxymethylcyclobutane
CID 142528063
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
3-methylbutoxymethylcyclobutane
CID 66602657
1-cyclohexyl-2-(cyclopentylmethoxy)ethanol
CID 104753739
[3-(methoxymethyl)cyclobutyl]methoxymethylcyclopentane
CID 155135222
3-(cyclopentylmethoxy)propan-1-amine
CID 62344405
N-[2-(cyclobutylmethoxy)ethyl]propan-2-amine
CID 65458090

Frequently Asked Questions

What is the IUPAC name of potassium cyclobutylmethoxymethyl(trifluoro)boranuide?
The IUPAC name of potassium cyclobutylmethoxymethyl(trifluoro)boranuide (CID 76850121) is potassium cyclobutylmethoxymethyl(trifluoro)boranuide.
What is the SMILES notation for potassium cyclobutylmethoxymethyl(trifluoro)boranuide?
The canonical SMILES for potassium cyclobutylmethoxymethyl(trifluoro)boranuide is F[B-](F)(F)COCC1CCC1.[K+].
What is the InChIKey of potassium cyclobutylmethoxymethyl(trifluoro)boranuide?
The InChIKey is VNBPGTVAWCUVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BF3O.K/c8-7(9,10)5-11-4-6-2-1-3-6;/h6H,1-5H2;/q-1;+1.
What are the key properties of potassium cyclobutylmethoxymethyl(trifluoro)boranuide?
potassium cyclobutylmethoxymethyl(trifluoro)boranuide has a molecular weight of 206.06 g/mol, XLogP of -0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium cyclobutylmethoxymethyl(trifluoro)boranuide is sourced from PubChem (CID 76850121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).