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

C8H14BF3KNO2 — CID 71696866

IUPACpotassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]boranuide
SMILESCC(C)(C)OC(=O)N1CC([B-](F)(F)F)C1.[K+]
InChIInChI=1S/C8H14BF3NO2.K/c1-8(2,3)15-7(14)13-4-6(5-13)9(10,11)12;/h6H,4-5H2,1-3H3;/q-1;+1
InChIKeyUYUDDXOJTCPYIG-UHFFFAOYSA-N
MW263.11 g/mol
LogP-0.54
Rot. Bonds1

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

potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]boranuide (PubChem CID 71696866) has the molecular formula C8H14BF3KNO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]boranuide
PubChem CID71696866
Molecular FormulaC8H14BF3KNO2
Molecular Weight263.11 g/mol
Exact Mass263.07
IUPAC Namepotassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]boranuide
SMILESCC(C)(C)OC(=O)N1CC([B-](F)(F)F)C1.[K+]
InChIInChI=1S/C8H14BF3NO2.K/c1-8(2,3)15-7(14)13-4-6(5-13)9(10,11)12;/h6H,4-5H2,1-3H3;/q-1;+1
InChIKeyUYUDDXOJTCPYIG-UHFFFAOYSA-N
XLogP-0.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 5-0.54
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]boranuide?
The IUPAC name of potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]boranuide (CID 71696866) is potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]boranuide?
The canonical SMILES for potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]boranuide is CC(C)(C)OC(=O)N1CC([B-](F)(F)F)C1.[K+].
What is the InChIKey of potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]boranuide?
The InChIKey is UYUDDXOJTCPYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BF3NO2.K/c1-8(2,3)15-7(14)13-4-6(5-13)9(10,11)12;/h6H,4-5H2,1-3H3;/q-1;+1.
What are the key properties of potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]boranuide?
potassium trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]boranuide has a molecular weight of 263.11 g/mol, XLogP of -0.54, 1 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]boranuide is sourced from PubChem (CID 71696866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).