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

C5H11BF3N — CID 131031771

IUPACtrifluoro-(1-methylpyrrolidin-1-ium-1-yl)boranuide
SMILESC[N+]1([B-](F)(F)F)CCCC1
InChIInChI=1S/C5H11BF3N/c1-10(6(7,8)9)4-2-3-5-10/h2-5H2,1H3
InChIKeyPTOQQAFNYIVCPZ-UHFFFAOYSA-N
MW152.96 g/mol
LogP1.57
Rot. Bonds1

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

trifluoro-(1-methylpyrrolidin-1-ium-1-yl)boranuide (PubChem CID 131031771) has the molecular formula C5H11BF3N and a molecular weight of 152.96 g/mol. Its IUPAC name is trifluoro-(1-methylpyrrolidin-1-ium-1-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(1-methylpyrrolidin-1-ium-1-yl)boranuide
PubChem CID131031771
Molecular FormulaC5H11BF3N
Molecular Weight152.96 g/mol
Exact Mass153.09
IUPAC Nametrifluoro-(1-methylpyrrolidin-1-ium-1-yl)boranuide
SMILESC[N+]1([B-](F)(F)F)CCCC1
InChIInChI=1S/C5H11BF3N/c1-10(6(7,8)9)4-2-3-5-10/h2-5H2,1H3
InChIKeyPTOQQAFNYIVCPZ-UHFFFAOYSA-N
XLogP1.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.96
LogP ≤ 51.57
H-Bond Donors ≤ 50
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-1-yl)boranuide?
The IUPAC name of trifluoro-(1-methylpyrrolidin-1-ium-1-yl)boranuide (CID 131031771) is trifluoro-(1-methylpyrrolidin-1-ium-1-yl)boranuide.
What is the SMILES notation for trifluoro-(1-methylpyrrolidin-1-ium-1-yl)boranuide?
The canonical SMILES for trifluoro-(1-methylpyrrolidin-1-ium-1-yl)boranuide is C[N+]1([B-](F)(F)F)CCCC1.
What is the InChIKey of trifluoro-(1-methylpyrrolidin-1-ium-1-yl)boranuide?
The InChIKey is PTOQQAFNYIVCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BF3N/c1-10(6(7,8)9)4-2-3-5-10/h2-5H2,1H3.
What are the key properties of trifluoro-(1-methylpyrrolidin-1-ium-1-yl)boranuide?
trifluoro-(1-methylpyrrolidin-1-ium-1-yl)boranuide has a molecular weight of 152.96 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(1-methylpyrrolidin-1-ium-1-yl)boranuide is sourced from PubChem (CID 131031771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).