trifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide

C5H11BF3N — CID 71311002

IUPACtrifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide
SMILESF[B-](F)(F)C[NH+]1CCCC1
InChIInChI=1S/C5H10BF3N/c7-6(8,9)5-10-3-1-2-4-10/h1-5H2/q-1/p+1
InChIKeyIYJIUAKWLMMDRX-UHFFFAOYSA-O
MW152.96 g/mol
LogP0.05
Rot. Bonds2

About trifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide

trifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide (PubChem CID 71311002) has the molecular formula C5H11BF3N and a molecular weight of 152.96 g/mol. Its IUPAC name is trifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide.

Molecular Properties

Compound Nametrifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide
PubChem CID71311002
Molecular FormulaC5H11BF3N
Molecular Weight152.96 g/mol
Exact Mass153.09
IUPAC Nametrifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide
SMILESF[B-](F)(F)C[NH+]1CCCC1
InChIInChI=1S/C5H10BF3N/c7-6(8,9)5-10-3-1-2-4-10/h1-5H2/q-1/p+1
InChIKeyIYJIUAKWLMMDRX-UHFFFAOYSA-O
XLogP0.05
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.96
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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(pyrrolidin-1-ium-1-ylmethyl)boranuide?
The IUPAC name of trifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide (CID 71311002) is trifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide.
What is the SMILES notation for trifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide?
The canonical SMILES for trifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide is F[B-](F)(F)C[NH+]1CCCC1.
What is the InChIKey of trifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide?
The InChIKey is IYJIUAKWLMMDRX-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10BF3N/c7-6(8,9)5-10-3-1-2-4-10/h1-5H2/q-1/p+1.
What are the key properties of trifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide?
trifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide has a molecular weight of 152.96 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide is sourced from PubChem (CID 71311002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).