pyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide

C6H10BF8N — CID 141212968

IUPACpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESC1CC[NH2+]C1.F[B-](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H9N.C2BF8/c1-2-4-5-3-1;4-1(5,2(6,7)8)3(9,10)11/h5H,1-4H2;/q;-1/p+1
InChIKeyRFGZQCTVJZZCKH-UHFFFAOYSA-O
MW258.95 g/mol
LogP1.91
Rot. Bonds1

About pyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide

pyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide (PubChem CID 141212968) has the molecular formula C6H10BF8N and a molecular weight of 258.95 g/mol. Its IUPAC name is pyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide.

Molecular Properties

Compound Namepyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
PubChem CID141212968
Molecular FormulaC6H10BF8N
Molecular Weight258.95 g/mol
Exact Mass259.08
IUPAC Namepyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESC1CC[NH2+]C1.F[B-](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H9N.C2BF8/c1-2-4-5-3-1;4-1(5,2(6,7)8)3(9,10)11/h5H,1-4H2;/q;-1/p+1
InChIKeyRFGZQCTVJZZCKH-UHFFFAOYSA-O
XLogP1.91
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.95
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The IUPAC name of pyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide (CID 141212968) is pyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide.
What is the SMILES notation for pyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The canonical SMILES for pyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide is C1CC[NH2+]C1.F[B-](F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of pyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The InChIKey is RFGZQCTVJZZCKH-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N.C2BF8/c1-2-4-5-3-1;4-1(5,2(6,7)8)3(9,10)11/h5H,1-4H2;/q;-1/p+1.
What are the key properties of pyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
pyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide has a molecular weight of 258.95 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide is sourced from PubChem (CID 141212968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).