potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide

C12H20BF3KNO2 — CID 146155743

IUPACpotassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC2[B-](F)(F)F.[K+]
InChIInChI=1S/C12H20BF3NO2.K/c1-11(2,3)19-10(18)17-6-4-12(5-7-17)8-9(12)13(14,15)16;/h9H,4-8H2,1-3H3;/q-1;+1
InChIKeyBYIPAVCOMXWXSM-UHFFFAOYSA-N
MW317.20 g/mol
LogP0.63
Rot. Bonds1

About potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide

potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide (PubChem CID 146155743) has the molecular formula C12H20BF3KNO2 and a molecular weight of 317.20 g/mol. Its IUPAC name is potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide
PubChem CID146155743
Molecular FormulaC12H20BF3KNO2
Molecular Weight317.20 g/mol
Exact Mass317.12
IUPAC Namepotassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC2[B-](F)(F)F.[K+]
InChIInChI=1S/C12H20BF3NO2.K/c1-11(2,3)19-10(18)17-6-4-12(5-7-17)8-9(12)13(14,15)16;/h9H,4-8H2,1-3H3;/q-1;+1
InChIKeyBYIPAVCOMXWXSM-UHFFFAOYSA-N
XLogP0.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide with MolForge

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Related Compounds

tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
CID 86280112
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate
CID 150980287
tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 121207545
(4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-8-azaspiro[4.5]decane-4-carboxylic acid
CID 155905422
tert-butyl 4-carbonochloridoyl-4-fluoropiperidine-1-carboxylate
CID 59658463
tert-butyl 4-carbonofluoridoyl-4-methylpiperidine-1-carboxylate
CID 145108017
tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate
CID 176884220

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide (CID 146155743) is potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide is CC(C)(C)OC(=O)N1CCC2(CC1)CC2[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide?
The InChIKey is BYIPAVCOMXWXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BF3NO2.K/c1-11(2,3)19-10(18)17-6-4-12(5-7-17)8-9(12)13(14,15)16;/h9H,4-8H2,1-3H3;/q-1;+1.
What are the key properties of potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide?
potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide has a molecular weight of 317.20 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide is sourced from PubChem (CID 146155743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).