trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide

C9H16BF3NO2- — CID 75480879

IUPACtrifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide
SMILESCC(C)(C)OC(=O)NC1CC([B-](F)(F)F)C1
InChIInChI=1S/C9H16BF3NO2/c1-9(2,3)16-8(15)14-7-4-6(5-7)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,15)/q-1
InChIKeyFFYKJKUIRFJTSP-UHFFFAOYSA-N
MW238.04 g/mol
LogP2.89
Rot. Bonds2

About trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide

trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide (PubChem CID 75480879) has the molecular formula C9H16BF3NO2- and a molecular weight of 238.04 g/mol. Its IUPAC name is trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide
PubChem CID75480879
Molecular FormulaC9H16BF3NO2-
Molecular Weight238.04 g/mol
Exact Mass238.12
IUPAC Nametrifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide
SMILESCC(C)(C)OC(=O)NC1CC([B-](F)(F)F)C1
InChIInChI=1S/C9H16BF3NO2/c1-9(2,3)16-8(15)14-7-4-6(5-7)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,15)/q-1
InChIKeyFFYKJKUIRFJTSP-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.04
LogP ≤ 52.89
H-Bond Donors ≤ 51
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 trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide?
The IUPAC name of trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide (CID 75480879) is trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide.
What is the SMILES notation for trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide?
The canonical SMILES for trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide is CC(C)(C)OC(=O)NC1CC([B-](F)(F)F)C1.
What is the InChIKey of trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide?
The InChIKey is FFYKJKUIRFJTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BF3NO2/c1-9(2,3)16-8(15)14-7-4-6(5-7)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,15)/q-1.
What are the key properties of trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide?
trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide has a molecular weight of 238.04 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]boranuide is sourced from PubChem (CID 75480879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).