2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one

C5H5F3N2O — CID 106951807

IUPAC2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(CC(F)(F)F)N1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)1-3-9-2-4(11)10-3/h1-2H2,(H,9,10,11)
InChIKeyBCHQEHBRTMQRBY-UHFFFAOYSA-N
MW166.10 g/mol
LogP0.47
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one

2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106951807) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
PubChem CID106951807
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(CC(F)(F)F)N1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)1-3-9-2-4(11)10-3/h1-2H2,(H,9,10,11)
InChIKeyBCHQEHBRTMQRBY-UHFFFAOYSA-N
XLogP0.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one (CID 106951807) is 2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one is O=C1CN=C(CC(F)(F)F)N1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is BCHQEHBRTMQRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)1-3-9-2-4(11)10-3/h1-2H2,(H,9,10,11).
What are the key properties of 2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one?
2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 166.10 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).