2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine

C5H5F6N — CID 12847250

IUPAC2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine
SMILESCN1C(F)(F)C(F)C(F)C1(F)F
InChIInChI=1S/C5H5F6N/c1-12-4(8,9)2(6)3(7)5(12,10)11/h2-3H,1H3
InChIKeyPEQJTTHASFWFRR-UHFFFAOYSA-N
MW193.09 g/mol
LogP1.79
Rot. Bonds

About 2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine

2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine (PubChem CID 12847250) has the molecular formula C5H5F6N and a molecular weight of 193.09 g/mol. Its IUPAC name is 2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine
PubChem CID12847250
Molecular FormulaC5H5F6N
Molecular Weight193.09 g/mol
Exact Mass193.03
IUPAC Name2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine
SMILESCN1C(F)(F)C(F)C(F)C1(F)F
InChIInChI=1S/C5H5F6N/c1-12-4(8,9)2(6)3(7)5(12,10)11/h2-3H,1H3
InChIKeyPEQJTTHASFWFRR-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.09
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine?
The IUPAC name of 2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine (CID 12847250) is 2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine.
What is the SMILES notation for 2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine?
The canonical SMILES for 2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine is CN1C(F)(F)C(F)C(F)C1(F)F.
What is the InChIKey of 2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine?
The InChIKey is PEQJTTHASFWFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6N/c1-12-4(8,9)2(6)3(7)5(12,10)11/h2-3H,1H3.
What are the key properties of 2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine?
2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine has a molecular weight of 193.09 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,5,5-hexafluoro-1-methylpyrrolidine is sourced from PubChem (CID 12847250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).