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

C11H9F3N2O2 — CID 19373665

IUPAC3-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-18-9-3-1-8(2-4-9)16-6-5-15-10(16)17/h1-6H,7H2,(H,15,17)
InChIKeyCFYFFAJOMOKLOG-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.11
Rot. Bonds3

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

3-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-imidazol-2-one (PubChem CID 19373665) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-imidazol-2-one
PubChem CID19373665
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name3-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-18-9-3-1-8(2-4-9)16-6-5-15-10(16)17/h1-6H,7H2,(H,15,17)
InChIKeyCFYFFAJOMOKLOG-UHFFFAOYSA-N
XLogP2.11
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-imidazol-2-one (CID 19373665) is 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-imidazol-2-one is O=c1[nH]ccn1-c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-imidazol-2-one?
The InChIKey is CFYFFAJOMOKLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)7-18-9-3-1-8(2-4-9)16-6-5-15-10(16)17/h1-6H,7H2,(H,15,17).
What are the key properties of 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-imidazol-2-one?
3-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-imidazol-2-one has a molecular weight of 258.20 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 19373665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).