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

C7H9F3N2O2 — CID 106951931

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(CCOCC(F)(F)F)N1
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)4-14-2-1-5-11-3-6(13)12-5/h1-4H2,(H,11,12,13)
InChIKeyHHOMMVYWUUDVOP-UHFFFAOYSA-N
MW210.15 g/mol
LogP0.48
Rot. Bonds4

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

2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one (PubChem CID 106951931) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
PubChem CID106951931
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(CCOCC(F)(F)F)N1
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)4-14-2-1-5-11-3-6(13)12-5/h1-4H2,(H,11,12,13)
InChIKeyHHOMMVYWUUDVOP-UHFFFAOYSA-N
XLogP0.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 50.48
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-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one (CID 106951931) is 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one is O=C1CN=C(CCOCC(F)(F)F)N1.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one?
The InChIKey is HHOMMVYWUUDVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c8-7(9,10)4-14-2-1-5-11-3-6(13)12-5/h1-4H2,(H,11,12,13).
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one?
2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one has a molecular weight of 210.15 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).