potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide

C6H9BF3KO — CID 154710074

IUPACpotassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide
SMILESCC1([B-](F)(F)F)CCC(=O)C1.[K+]
InChIInChI=1S/C6H9BF3O.K/c1-6(7(8,9)10)3-2-5(11)4-6;/h2-4H2,1H3;/q-1;+1
InChIKeyGUIZVDRKSMPCCP-UHFFFAOYSA-N
MW204.04 g/mol
LogP-0.65
Rot. Bonds1

About potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide

potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide (PubChem CID 154710074) has the molecular formula C6H9BF3KO and a molecular weight of 204.04 g/mol. Its IUPAC name is potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide
PubChem CID154710074
Molecular FormulaC6H9BF3KO
Molecular Weight204.04 g/mol
Exact Mass204.03
IUPAC Namepotassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide
SMILESCC1([B-](F)(F)F)CCC(=O)C1.[K+]
InChIInChI=1S/C6H9BF3O.K/c1-6(7(8,9)10)3-2-5(11)4-6;/h2-4H2,1H3;/q-1;+1
InChIKeyGUIZVDRKSMPCCP-UHFFFAOYSA-N
XLogP-0.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.04
LogP ≤ 5-0.65
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

4,4-difluoro-3,3-dimethylcyclohexan-1-one
CID 156528016
3-methyl-3-sulfanylcyclohexan-1-one
CID 86138947
(1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde
CID 11007903
4,4,7,7-tetramethylcyclononan-1-one
CID 21241719
(3S)-3-methyl-3-propylcyclopentan-1-one
CID 171036794
3,3-dimethylcycloheptan-1-one
CID 12702041
3-methyl-3-prop-2-enylcyclopentan-1-one
CID 10034694
(3R)-3-iodo-3-methylcyclohexan-1-one
CID 165020728
3-cyclohexyl-3-methylcyclopentan-1-one
CID 116538592
(3aR,6aR)-3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
CID 2802599
6-fluoro-6-methylpiperidin-3-one
CID 174899088
3-hydroxy-3-iodocyclopentan-1-one
CID 163780598

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide?
The IUPAC name of potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide (CID 154710074) is potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide.
What is the SMILES notation for potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide?
The canonical SMILES for potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide is CC1([B-](F)(F)F)CCC(=O)C1.[K+].
What is the InChIKey of potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide?
The InChIKey is GUIZVDRKSMPCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BF3O.K/c1-6(7(8,9)10)3-2-5(11)4-6;/h2-4H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide?
potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide has a molecular weight of 204.04 g/mol, XLogP of -0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide is sourced from PubChem (CID 154710074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).