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

C8H10F4N2O2 — CID 106952107

IUPAC4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one
SMILESCC1N=C(COCC(F)(F)C(F)F)NC1=O
InChIInChI=1S/C8H10F4N2O2/c1-4-6(15)14-5(13-4)2-16-3-8(11,12)7(9)10/h4,7H,2-3H2,1H3,(H,13,14,15)
InChIKeyVXILNLPPFTZVMG-UHFFFAOYSA-N
MW242.17 g/mol
LogP0.82
Rot. Bonds5

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

4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106952107) has the molecular formula C8H10F4N2O2 and a molecular weight of 242.17 g/mol. Its IUPAC name is 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one
PubChem CID106952107
Molecular FormulaC8H10F4N2O2
Molecular Weight242.17 g/mol
Exact Mass242.07
IUPAC Name4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one
SMILESCC1N=C(COCC(F)(F)C(F)F)NC1=O
InChIInChI=1S/C8H10F4N2O2/c1-4-6(15)14-5(13-4)2-16-3-8(11,12)7(9)10/h4,7H,2-3H2,1H3,(H,13,14,15)
InChIKeyVXILNLPPFTZVMG-UHFFFAOYSA-N
XLogP0.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 50.82
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-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one (CID 106952107) is 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one is CC1N=C(COCC(F)(F)C(F)F)NC1=O.
What is the InChIKey of 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is VXILNLPPFTZVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N2O2/c1-4-6(15)14-5(13-4)2-16-3-8(11,12)7(9)10/h4,7H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one?
4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 242.17 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).