pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide

C5H10BF6N — CID 141287209

IUPACpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide
SMILESC1CC[NH2+]C1.F[B-](F)(F)C(F)(F)F
InChIInChI=1S/C4H9N.CBF6/c1-2-4-5-3-1;3-1(4,5)2(6,7)8/h5H,1-4H2;/q;-1/p+1
InChIKeyHIUHOHOSYCBTCT-UHFFFAOYSA-O
MW208.94 g/mol
LogP1.28
Rot. Bonds

About pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide

pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide (PubChem CID 141287209) has the molecular formula C5H10BF6N and a molecular weight of 208.94 g/mol. Its IUPAC name is pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide.

Molecular Properties

Compound Namepyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide
PubChem CID141287209
Molecular FormulaC5H10BF6N
Molecular Weight208.94 g/mol
Exact Mass209.08
IUPAC Namepyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide
SMILESC1CC[NH2+]C1.F[B-](F)(F)C(F)(F)F
InChIInChI=1S/C4H9N.CBF6/c1-2-4-5-3-1;3-1(4,5)2(6,7)8/h5H,1-4H2;/q;-1/p+1
InChIKeyHIUHOHOSYCBTCT-UHFFFAOYSA-O
XLogP1.28
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.94
LogP ≤ 51.28
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 pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide?
The IUPAC name of pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide (CID 141287209) is pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide.
What is the SMILES notation for pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide?
The canonical SMILES for pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide is C1CC[NH2+]C1.F[B-](F)(F)C(F)(F)F.
What is the InChIKey of pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide?
The InChIKey is HIUHOHOSYCBTCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N.CBF6/c1-2-4-5-3-1;3-1(4,5)2(6,7)8/h5H,1-4H2;/q;-1/p+1.
What are the key properties of pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide?
pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide has a molecular weight of 208.94 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide is sourced from PubChem (CID 141287209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).