2,2,4,4,5,5-hexafluoro-1-methylimidazolidine

C4H4F6N2 — CID 150361429

IUPAC2,2,4,4,5,5-hexafluoro-1-methylimidazolidine
SMILESCN1C(F)(F)NC(F)(F)C1(F)F
InChIInChI=1S/C4H4F6N2/c1-12-3(7,8)2(5,6)11-4(12,9)10/h11H,1H3
InChIKeyGVUGCRDIMWKGLG-UHFFFAOYSA-N
MW194.08 g/mol
LogP1.26
Rot. Bonds

About 2,2,4,4,5,5-hexafluoro-1-methylimidazolidine

2,2,4,4,5,5-hexafluoro-1-methylimidazolidine (PubChem CID 150361429) has the molecular formula C4H4F6N2 and a molecular weight of 194.08 g/mol. Its IUPAC name is 2,2,4,4,5,5-hexafluoro-1-methylimidazolidine.

Molecular Properties

Compound Name2,2,4,4,5,5-hexafluoro-1-methylimidazolidine
PubChem CID150361429
Molecular FormulaC4H4F6N2
Molecular Weight194.08 g/mol
Exact Mass194.03
IUPAC Name2,2,4,4,5,5-hexafluoro-1-methylimidazolidine
SMILESCN1C(F)(F)NC(F)(F)C1(F)F
InChIInChI=1S/C4H4F6N2/c1-12-3(7,8)2(5,6)11-4(12,9)10/h11H,1H3
InChIKeyGVUGCRDIMWKGLG-UHFFFAOYSA-N
XLogP1.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.08
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine
CID 12597073
ethane;1,2,2,6,6-pentamethylpiperazine
CID 168918008
2,2-difluoro-1,3,3-trimethylpyrrolidine
CID 10329427
2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine
CID 130266565
3-fluoro-1,3-dimethylazetidine
CID 89296536
2,2,3-trifluoro-3-(trifluoromethyl)aziridine
CID 12961687
4-ethenyl-4-fluoro-1-methylpiperidine
CID 154558777
3,3-difluoro-1,2-dimethylpyrrolidine
CID 90368643
3,3-difluoro-1-methylazetidine;ethane;methane
CID 153377550
CID 162284166
CID 162284166
(4-fluoro-1-methylpiperidin-4-yl)methanol
CID 24729611
3,3-difluorothiolane;ethane
CID 170752732

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5,5-hexafluoro-1-methylimidazolidine?
The IUPAC name of 2,2,4,4,5,5-hexafluoro-1-methylimidazolidine (CID 150361429) is 2,2,4,4,5,5-hexafluoro-1-methylimidazolidine.
What is the SMILES notation for 2,2,4,4,5,5-hexafluoro-1-methylimidazolidine?
The canonical SMILES for 2,2,4,4,5,5-hexafluoro-1-methylimidazolidine is CN1C(F)(F)NC(F)(F)C1(F)F.
What is the InChIKey of 2,2,4,4,5,5-hexafluoro-1-methylimidazolidine?
The InChIKey is GVUGCRDIMWKGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6N2/c1-12-3(7,8)2(5,6)11-4(12,9)10/h11H,1H3.
What are the key properties of 2,2,4,4,5,5-hexafluoro-1-methylimidazolidine?
2,2,4,4,5,5-hexafluoro-1-methylimidazolidine has a molecular weight of 194.08 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,5-hexafluoro-1-methylimidazolidine is sourced from PubChem (CID 150361429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).