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

C7H10F2N2O2 — CID 106951967

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(CCOCC(F)F)N1
InChIInChI=1S/C7H10F2N2O2/c8-5(9)4-13-2-1-6-10-3-7(12)11-6/h5H,1-4H2,(H,10,11,12)
InChIKeyFGDHBSMFOYVQDS-UHFFFAOYSA-N
MW192.16 g/mol
LogP0.19
Rot. Bonds5

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

2-[2-(2,2-difluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one (PubChem CID 106951967) has the molecular formula C7H10F2N2O2 and a molecular weight of 192.16 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
PubChem CID106951967
Molecular FormulaC7H10F2N2O2
Molecular Weight192.16 g/mol
Exact Mass192.07
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(CCOCC(F)F)N1
InChIInChI=1S/C7H10F2N2O2/c8-5(9)4-13-2-1-6-10-3-7(12)11-6/h5H,1-4H2,(H,10,11,12)
InChIKeyFGDHBSMFOYVQDS-UHFFFAOYSA-N
XLogP0.19
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 50.19
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]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one (CID 106951967) is 2-[2-(2,2-difluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one is O=C1CN=C(CCOCC(F)F)N1.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one?
The InChIKey is FGDHBSMFOYVQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O2/c8-5(9)4-13-2-1-6-10-3-7(12)11-6/h5H,1-4H2,(H,10,11,12).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one?
2-[2-(2,2-difluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one has a molecular weight of 192.16 g/mol, XLogP of 0.19, 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]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).