4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one

C5H6F4N2O — CID 118288673

IUPAC4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one
SMILESCN1C(=O)N(C)C(F)(F)C1(F)F
InChIInChI=1S/C5H6F4N2O/c1-10-3(12)11(2)5(8,9)4(10,6)7/h1-2H3
InChIKeyQBRPBZOUWLUGBY-UHFFFAOYSA-N
MW186.11 g/mol
LogP1.17
Rot. Bonds

About 4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one

4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one (PubChem CID 118288673) has the molecular formula C5H6F4N2O and a molecular weight of 186.11 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one
PubChem CID118288673
Molecular FormulaC5H6F4N2O
Molecular Weight186.11 g/mol
Exact Mass186.04
IUPAC Name4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one
SMILESCN1C(=O)N(C)C(F)(F)C1(F)F
InChIInChI=1S/C5H6F4N2O/c1-10-3(12)11(2)5(8,9)4(10,6)7/h1-2H3
InChIKeyQBRPBZOUWLUGBY-UHFFFAOYSA-N
XLogP1.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.11
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

CID 168355027
CID 168355027
CID 150532585
CID 150532585
CID 156148700
CID 156148700
CID 72190495
CID 72190495

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one?
The IUPAC name of 4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one (CID 118288673) is 4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one.
What is the SMILES notation for 4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one?
The canonical SMILES for 4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one is CN1C(=O)N(C)C(F)(F)C1(F)F.
What is the InChIKey of 4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one?
The InChIKey is QBRPBZOUWLUGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4N2O/c1-10-3(12)11(2)5(8,9)4(10,6)7/h1-2H3.
What are the key properties of 4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one?
4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one has a molecular weight of 186.11 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-1,3-dimethylimidazolidin-2-one is sourced from PubChem (CID 118288673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).