potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide

C11H20BF3KNO2 — CID 82017754

IUPACpotassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide
SMILESCC(C)(C)OC(=O)NC1CCC([B-](F)(F)F)CC1.[K+]
InChIInChI=1S/C11H20BF3NO2.K/c1-11(2,3)18-10(17)16-9-6-4-8(5-7-9)12(13,14)15;/h8-9H,4-7H2,1-3H3,(H,16,17);/q-1;+1
InChIKeyFQGONLUNLNJBIH-UHFFFAOYSA-N
MW305.19 g/mol
LogP0.68
Rot. Bonds2

About potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide

potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide (PubChem CID 82017754) has the molecular formula C11H20BF3KNO2 and a molecular weight of 305.19 g/mol. Its IUPAC name is potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide
PubChem CID82017754
Molecular FormulaC11H20BF3KNO2
Molecular Weight305.19 g/mol
Exact Mass305.12
IUPAC Namepotassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide
SMILESCC(C)(C)OC(=O)NC1CCC([B-](F)(F)F)CC1.[K+]
InChIInChI=1S/C11H20BF3NO2.K/c1-11(2,3)18-10(17)16-9-6-4-8(5-7-9)12(13,14)15;/h8-9H,4-7H2,1-3H3,(H,16,17);/q-1;+1
InChIKeyFQGONLUNLNJBIH-UHFFFAOYSA-N
XLogP0.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide?
The IUPAC name of potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide (CID 82017754) is potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide is CC(C)(C)OC(=O)NC1CCC([B-](F)(F)F)CC1.[K+].
What is the InChIKey of potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide?
The InChIKey is FQGONLUNLNJBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BF3NO2.K/c1-11(2,3)18-10(17)16-9-6-4-8(5-7-9)12(13,14)15;/h8-9H,4-7H2,1-3H3,(H,16,17);/q-1;+1.
What are the key properties of potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide?
potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide has a molecular weight of 305.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide is sourced from PubChem (CID 82017754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).