potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide

C6H8BF3KN — CID 155821923

IUPACpotassium (1-cyanocyclobutyl)methyl-trifluoroboranuide
SMILESN#CC1(C[B-](F)(F)F)CCC1.[K+]
InChIInChI=1S/C6H8BF3N.K/c8-7(9,10)4-6(5-11)2-1-3-6;/h1-4H2;/q-1;+1
InChIKeyQBANZEMEGGUGBZ-UHFFFAOYSA-N
MW201.04 g/mol
LogP-0.47
Rot. Bonds2

About potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide

potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide (PubChem CID 155821923) has the molecular formula C6H8BF3KN and a molecular weight of 201.04 g/mol. Its IUPAC name is potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (1-cyanocyclobutyl)methyl-trifluoroboranuide
PubChem CID155821923
Molecular FormulaC6H8BF3KN
Molecular Weight201.04 g/mol
Exact Mass201.03
IUPAC Namepotassium (1-cyanocyclobutyl)methyl-trifluoroboranuide
SMILESN#CC1(C[B-](F)(F)F)CCC1.[K+]
InChIInChI=1S/C6H8BF3N.K/c8-7(9,10)4-6(5-11)2-1-3-6;/h1-4H2;/q-1;+1
InChIKeyQBANZEMEGGUGBZ-UHFFFAOYSA-N
XLogP-0.47
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.04
LogP ≤ 5-0.47
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

1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile
CID 130513647
(1-cyanocyclobutyl)methanesulfonyl chloride
CID 75480697
1-ethylcyclopentane-1-carbonitrile
CID 12859571
1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile
CID 116627789
(1-cyanocyclobutyl)methanesulfinyl chloride
CID 165452706
1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile
CID 130513551
1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile
CID 126983354
1-(2-hydroxyethyl)cycloheptane-1-carbonitrile
CID 130514134
1-(propylaminomethyl)cyclopentane-1-carbonitrile
CID 166556871
1-(3-methoxypropyl)cyclobutane-1-carbonitrile
CID 65376205
1-(4-methylpentyl)cyclobutane-1-carbonitrile
CID 83168144
potassium 2-(1-cyanocyclohexyl)acetate
CID 23672403

Frequently Asked Questions

What is the IUPAC name of potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide?
The IUPAC name of potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide (CID 155821923) is potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide?
The canonical SMILES for potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide is N#CC1(C[B-](F)(F)F)CCC1.[K+].
What is the InChIKey of potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide?
The InChIKey is QBANZEMEGGUGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BF3N.K/c8-7(9,10)4-6(5-11)2-1-3-6;/h1-4H2;/q-1;+1.
What are the key properties of potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide?
potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide has a molecular weight of 201.04 g/mol, XLogP of -0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide is sourced from PubChem (CID 155821923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).