trifluoro-[(2R)-pyrrolidin-2-yl]boranuide

C4H8BF3N- — CID 176643530

IUPACtrifluoro-[(2R)-pyrrolidin-2-yl]boranuide
SMILESF[B-](F)(F)[C@@H]1CCCN1
InChIInChI=1S/C4H8BF3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2/q-1/t4-/m0/s1
InChIKeyOGXFDTDVMQLWHA-BYPYZUCNSA-N
MW137.92 g/mol
LogP1.12
Rot. Bonds1

About trifluoro-[(2R)-pyrrolidin-2-yl]boranuide

trifluoro-[(2R)-pyrrolidin-2-yl]boranuide (PubChem CID 176643530) has the molecular formula C4H8BF3N- and a molecular weight of 137.92 g/mol. Its IUPAC name is trifluoro-[(2R)-pyrrolidin-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(2R)-pyrrolidin-2-yl]boranuide
PubChem CID176643530
Molecular FormulaC4H8BF3N-
Molecular Weight137.92 g/mol
Exact Mass138.07
IUPAC Nametrifluoro-[(2R)-pyrrolidin-2-yl]boranuide
SMILESF[B-](F)(F)[C@@H]1CCCN1
InChIInChI=1S/C4H8BF3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2/q-1/t4-/m0/s1
InChIKeyOGXFDTDVMQLWHA-BYPYZUCNSA-N
XLogP1.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.92
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(2R)-pyrrolidin-2-yl]boranuide?
The IUPAC name of trifluoro-[(2R)-pyrrolidin-2-yl]boranuide (CID 176643530) is trifluoro-[(2R)-pyrrolidin-2-yl]boranuide.
What is the SMILES notation for trifluoro-[(2R)-pyrrolidin-2-yl]boranuide?
The canonical SMILES for trifluoro-[(2R)-pyrrolidin-2-yl]boranuide is F[B-](F)(F)[C@@H]1CCCN1.
What is the InChIKey of trifluoro-[(2R)-pyrrolidin-2-yl]boranuide?
The InChIKey is OGXFDTDVMQLWHA-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8BF3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2/q-1/t4-/m0/s1.
What are the key properties of trifluoro-[(2R)-pyrrolidin-2-yl]boranuide?
trifluoro-[(2R)-pyrrolidin-2-yl]boranuide has a molecular weight of 137.92 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(2R)-pyrrolidin-2-yl]boranuide is sourced from PubChem (CID 176643530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).