4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one

C9H13F3N2O — CID 106952985

IUPAC4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(CCC(F)(F)F)NC1=O
InChIInChI=1S/C9H13F3N2O/c1-2-3-6-8(15)14-7(13-6)4-5-9(10,11)12/h6H,2-5H2,1H3,(H,13,14,15)
InChIKeyYDBFEYYXWVBWHP-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.03
Rot. Bonds4

About 4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one

4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one (PubChem CID 106952985) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
PubChem CID106952985
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(CCC(F)(F)F)NC1=O
InChIInChI=1S/C9H13F3N2O/c1-2-3-6-8(15)14-7(13-6)4-5-9(10,11)12/h6H,2-5H2,1H3,(H,13,14,15)
InChIKeyYDBFEYYXWVBWHP-UHFFFAOYSA-N
XLogP2.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one (CID 106952985) is 4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one is CCCC1N=C(CCC(F)(F)F)NC1=O.
What is the InChIKey of 4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
The InChIKey is YDBFEYYXWVBWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-2-3-6-8(15)14-7(13-6)4-5-9(10,11)12/h6H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one has a molecular weight of 222.21 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).