potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate

C13H25F2KNO- — CID 176926790

IUPACpotassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate
SMILESC=C1CCC(C[O-])N(C)C1.CCC(C)(F)F.[CH3-].[K+]
InChIInChI=1S/C8H14NO.C4H8F2.CH3.K/c1-7-3-4-8(6-10)9(2)5-7;1-3-4(2,5)6;;/h8H,1,3-6H2,2H3;3H2,1-2H3;1H3;/q-1;;-1;+1
InChIKeyCROLTZIOJZEATJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP-0.50
Rot. Bonds2

About potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate

potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate (PubChem CID 176926790) has the molecular formula C13H25F2KNO- and a molecular weight of 288.44 g/mol. Its IUPAC name is potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate.

Molecular Properties

Compound Namepotassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate
PubChem CID176926790
Molecular FormulaC13H25F2KNO-
Molecular Weight288.44 g/mol
Exact Mass288.15
IUPAC Namepotassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate
SMILESC=C1CCC(C[O-])N(C)C1.CCC(C)(F)F.[CH3-].[K+]
InChIInChI=1S/C8H14NO.C4H8F2.CH3.K/c1-7-3-4-8(6-10)9(2)5-7;1-3-4(2,5)6;;/h8H,1,3-6H2,2H3;3H2,1-2H3;1H3;/q-1;;-1;+1
InChIKeyCROLTZIOJZEATJ-UHFFFAOYSA-N
XLogP-0.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate?
The IUPAC name of potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate (CID 176926790) is potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate.
What is the SMILES notation for potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate?
The canonical SMILES for potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate is C=C1CCC(C[O-])N(C)C1.CCC(C)(F)F.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate?
The InChIKey is CROLTZIOJZEATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO.C4H8F2.CH3.K/c1-7-3-4-8(6-10)9(2)5-7;1-3-4(2,5)6;;/h8H,1,3-6H2,2H3;3H2,1-2H3;1H3;/q-1;;-1;+1.
What are the key properties of potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate?
potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate has a molecular weight of 288.44 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate is sourced from PubChem (CID 176926790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).