1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine

C4BrF9N2 — CID 13407868

IUPAC1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine
SMILESFC(F)(F)N1C(F)(F)N(Br)C(F)(F)C1(F)F
InChIInChI=1S/C4BrF9N2/c5-16-2(8,9)1(6,7)15(3(10,11)12)4(16,13)14
InChIKeyHXZZZUQGEWENIF-UHFFFAOYSA-N
MW326.94 g/mol
LogP3.17
Rot. Bonds

About 1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine

1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine (PubChem CID 13407868) has the molecular formula C4BrF9N2 and a molecular weight of 326.94 g/mol. Its IUPAC name is 1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine.

Molecular Properties

Compound Name1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine
PubChem CID13407868
Molecular FormulaC4BrF9N2
Molecular Weight326.94 g/mol
Exact Mass325.91
IUPAC Name1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine
SMILESFC(F)(F)N1C(F)(F)N(Br)C(F)(F)C1(F)F
InChIInChI=1S/C4BrF9N2/c5-16-2(8,9)1(6,7)15(3(10,11)12)4(16,13)14
InChIKeyHXZZZUQGEWENIF-UHFFFAOYSA-N
XLogP3.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.94
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine?
The IUPAC name of 1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine (CID 13407868) is 1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine.
What is the SMILES notation for 1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine?
The canonical SMILES for 1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine is FC(F)(F)N1C(F)(F)N(Br)C(F)(F)C1(F)F.
What is the InChIKey of 1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine?
The InChIKey is HXZZZUQGEWENIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4BrF9N2/c5-16-2(8,9)1(6,7)15(3(10,11)12)4(16,13)14.
What are the key properties of 1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine?
1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine has a molecular weight of 326.94 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,2,4,4,5,5-hexafluoro-3-(trifluoromethyl)imidazolidine is sourced from PubChem (CID 13407868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).