4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one

C9H12F4N2O2 — CID 106952637

IUPAC4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(COCC(F)(F)C(F)F)NC1=O
InChIInChI=1S/C9H12F4N2O2/c1-2-5-7(16)15-6(14-5)3-17-4-9(12,13)8(10)11/h5,8H,2-4H2,1H3,(H,14,15,16)
InChIKeyGQGKWWYWUAIZKS-UHFFFAOYSA-N
MW256.20 g/mol
LogP1.21
Rot. Bonds6

About 4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one

4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106952637) has the molecular formula C9H12F4N2O2 and a molecular weight of 256.20 g/mol. Its IUPAC name is 4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one
PubChem CID106952637
Molecular FormulaC9H12F4N2O2
Molecular Weight256.20 g/mol
Exact Mass256.08
IUPAC Name4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(COCC(F)(F)C(F)F)NC1=O
InChIInChI=1S/C9H12F4N2O2/c1-2-5-7(16)15-6(14-5)3-17-4-9(12,13)8(10)11/h5,8H,2-4H2,1H3,(H,14,15,16)
InChIKeyGQGKWWYWUAIZKS-UHFFFAOYSA-N
XLogP1.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one (CID 106952637) is 4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one is CCC1N=C(COCC(F)(F)C(F)F)NC1=O.
What is the InChIKey of 4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is GQGKWWYWUAIZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4N2O2/c1-2-5-7(16)15-6(14-5)3-17-4-9(12,13)8(10)11/h5,8H,2-4H2,1H3,(H,14,15,16).
What are the key properties of 4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one?
4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 256.20 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).