3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one

C11H8F4N2O2 — CID 10564367

IUPAC3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C11H8F4N2O2/c12-9(13)11(14,15)19-8-3-1-7(2-4-8)17-6-5-16-10(17)18/h1-6,9H,(H,16,18)
InChIKeyNIDYSXPMZBBACE-UHFFFAOYSA-N
MW276.19 g/mol
LogP2.40
Rot. Bonds4

About 3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one

3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one (PubChem CID 10564367) has the molecular formula C11H8F4N2O2 and a molecular weight of 276.19 g/mol. Its IUPAC name is 3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one
PubChem CID10564367
Molecular FormulaC11H8F4N2O2
Molecular Weight276.19 g/mol
Exact Mass276.05
IUPAC Name3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C11H8F4N2O2/c12-9(13)11(14,15)19-8-3-1-7(2-4-8)17-6-5-16-10(17)18/h1-6,9H,(H,16,18)
InChIKeyNIDYSXPMZBBACE-UHFFFAOYSA-N
XLogP2.40
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 52.40
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 3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one (CID 10564367) is 3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one is O=c1[nH]ccn1-c1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of 3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one?
The InChIKey is NIDYSXPMZBBACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2O2/c12-9(13)11(14,15)19-8-3-1-7(2-4-8)17-6-5-16-10(17)18/h1-6,9H,(H,16,18).
What are the key properties of 3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one?
3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one has a molecular weight of 276.19 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 10564367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).