2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one

C8H12F2N2O2 — CID 106952068

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(CCOCC(F)F)NC1=O
InChIInChI=1S/C8H12F2N2O2/c1-5-8(13)12-7(11-5)2-3-14-4-6(9)10/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyWWGZFSRFLXYWBP-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.57
Rot. Bonds5

About 2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one

2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one (PubChem CID 106952068) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one
PubChem CID106952068
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(CCOCC(F)F)NC1=O
InChIInChI=1S/C8H12F2N2O2/c1-5-8(13)12-7(11-5)2-3-14-4-6(9)10/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyWWGZFSRFLXYWBP-UHFFFAOYSA-N
XLogP0.57
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one (CID 106952068) is 2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one is CC1N=C(CCOCC(F)F)NC1=O.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one?
The InChIKey is WWGZFSRFLXYWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c1-5-8(13)12-7(11-5)2-3-14-4-6(9)10/h5-6H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one?
2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one has a molecular weight of 206.19 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).