trifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide

C5H11BF3N — CID 147600457

IUPACtrifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide
SMILESC[NH+]1CCCC1[B-](F)(F)F
InChIInChI=1S/C5H10BF3N/c1-10-4-2-3-5(10)6(7,8)9/h5H,2-4H2,1H3/q-1/p+1
InChIKeyGAANQBHVHJMTEX-UHFFFAOYSA-O
MW152.96 g/mol
LogP0.05
Rot. Bonds1

About trifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide

trifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide (PubChem CID 147600457) has the molecular formula C5H11BF3N and a molecular weight of 152.96 g/mol. Its IUPAC name is trifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide
PubChem CID147600457
Molecular FormulaC5H11BF3N
Molecular Weight152.96 g/mol
Exact Mass153.09
IUPAC Nametrifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide
SMILESC[NH+]1CCCC1[B-](F)(F)F
InChIInChI=1S/C5H10BF3N/c1-10-4-2-3-5(10)6(7,8)9/h5H,2-4H2,1H3/q-1/p+1
InChIKeyGAANQBHVHJMTEX-UHFFFAOYSA-O
XLogP0.05
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
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-(1-methylpyrrolidin-1-ium-2-yl)boranuide?
The IUPAC name of trifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide (CID 147600457) is trifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide.
What is the SMILES notation for trifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide?
The canonical SMILES for trifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide is C[NH+]1CCCC1[B-](F)(F)F.
What is the InChIKey of trifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide?
The InChIKey is GAANQBHVHJMTEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10BF3N/c1-10-4-2-3-5(10)6(7,8)9/h5H,2-4H2,1H3/q-1/p+1.
What are the key properties of trifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide?
trifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide has a molecular weight of 152.96 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(1-methylpyrrolidin-1-ium-2-yl)boranuide is sourced from PubChem (CID 147600457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).