4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one

C9H13F3N2O2 — CID 106953180

IUPAC4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(COCC(F)(F)F)NC1=O
InChIInChI=1S/C9H13F3N2O2/c1-5(2)7-8(15)14-6(13-7)3-16-4-9(10,11)12/h5,7H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyVNKXEYLIEUPOTB-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.12
Rot. Bonds4

About 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one

4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106953180) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one
PubChem CID106953180
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(COCC(F)(F)F)NC1=O
InChIInChI=1S/C9H13F3N2O2/c1-5(2)7-8(15)14-6(13-7)3-16-4-9(10,11)12/h5,7H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyVNKXEYLIEUPOTB-UHFFFAOYSA-N
XLogP1.12
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one (CID 106953180) is 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one is CC(C)C1N=C(COCC(F)(F)F)NC1=O.
What is the InChIKey of 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is VNKXEYLIEUPOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-5(2)7-8(15)14-6(13-7)3-16-4-9(10,11)12/h5,7H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?
4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 238.21 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106953180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).