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

C7H9F6N — CID 23591723

IUPAC2,2,3,4,5,5-hexafluoro-1,3,4-trimethylpyrrolidine
SMILESCN1C(F)(F)C(C)(F)C(C)(F)C1(F)F
InChIInChI=1S/C7H9F6N/c1-4(8)5(2,9)7(12,13)14(3)6(4,10)11/h1-3H3
InChIKeyHYUCIPGHXROLLH-UHFFFAOYSA-N
MW221.14 g/mol
LogP2.57
Rot. Bonds

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

2,2,3,4,5,5-hexafluoro-1,3,4-trimethylpyrrolidine (PubChem CID 23591723) has the molecular formula C7H9F6N and a molecular weight of 221.14 g/mol. Its IUPAC name is 2,2,3,4,5,5-hexafluoro-1,3,4-trimethylpyrrolidine.

Molecular Properties

Compound Name2,2,3,4,5,5-hexafluoro-1,3,4-trimethylpyrrolidine
PubChem CID23591723
Molecular FormulaC7H9F6N
Molecular Weight221.14 g/mol
Exact Mass221.06
IUPAC Name2,2,3,4,5,5-hexafluoro-1,3,4-trimethylpyrrolidine
SMILESCN1C(F)(F)C(C)(F)C(C)(F)C1(F)F
InChIInChI=1S/C7H9F6N/c1-4(8)5(2,9)7(12,13)14(3)6(4,10)11/h1-3H3
InChIKeyHYUCIPGHXROLLH-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.57
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-1,3,4-trimethylpyrrolidine?
The IUPAC name of 2,2,3,4,5,5-hexafluoro-1,3,4-trimethylpyrrolidine (CID 23591723) is 2,2,3,4,5,5-hexafluoro-1,3,4-trimethylpyrrolidine.
What is the SMILES notation for 2,2,3,4,5,5-hexafluoro-1,3,4-trimethylpyrrolidine?
The canonical SMILES for 2,2,3,4,5,5-hexafluoro-1,3,4-trimethylpyrrolidine is CN1C(F)(F)C(C)(F)C(C)(F)C1(F)F.
What is the InChIKey of 2,2,3,4,5,5-hexafluoro-1,3,4-trimethylpyrrolidine?
The InChIKey is HYUCIPGHXROLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6N/c1-4(8)5(2,9)7(12,13)14(3)6(4,10)11/h1-3H3.
What are the key properties of 2,2,3,4,5,5-hexafluoro-1,3,4-trimethylpyrrolidine?
2,2,3,4,5,5-hexafluoro-1,3,4-trimethylpyrrolidine has a molecular weight of 221.14 g/mol, XLogP of 2.57, 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-1,3,4-trimethylpyrrolidine is sourced from PubChem (CID 23591723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).