potassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide

C9H16BF3KNO2 — CID 74787599

IUPACpotassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide
SMILESCC(C)(C)OC(=O)N1CC(C[B-](F)(F)F)C1.[K+]
InChIInChI=1S/C9H16BF3NO2.K/c1-9(2,3)16-8(15)14-5-7(6-14)4-10(11,12)13;/h7H,4-6H2,1-3H3;/q-1;+1
InChIKeyRFYIUAKJQXQXST-UHFFFAOYSA-N
MW277.14 g/mol
LogP-0.30
Rot. Bonds2

About potassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide

potassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide (PubChem CID 74787599) has the molecular formula C9H16BF3KNO2 and a molecular weight of 277.14 g/mol. Its IUPAC name is potassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide
PubChem CID74787599
Molecular FormulaC9H16BF3KNO2
Molecular Weight277.14 g/mol
Exact Mass277.09
IUPAC Namepotassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide
SMILESCC(C)(C)OC(=O)N1CC(C[B-](F)(F)F)C1.[K+]
InChIInChI=1S/C9H16BF3NO2.K/c1-9(2,3)16-8(15)14-5-7(6-14)4-10(11,12)13;/h7H,4-6H2,1-3H3;/q-1;+1
InChIKeyRFYIUAKJQXQXST-UHFFFAOYSA-N
XLogP-0.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide?
The IUPAC name of potassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide (CID 74787599) is potassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide?
The canonical SMILES for potassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide is CC(C)(C)OC(=O)N1CC(C[B-](F)(F)F)C1.[K+].
What is the InChIKey of potassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide?
The InChIKey is RFYIUAKJQXQXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BF3NO2.K/c1-9(2,3)16-8(15)14-5-7(6-14)4-10(11,12)13;/h7H,4-6H2,1-3H3;/q-1;+1.
What are the key properties of potassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide?
potassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide has a molecular weight of 277.14 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]boranuide is sourced from PubChem (CID 74787599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).