2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

C9H15F3N2O — CID 83254930

IUPAC2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCCCC1NCC(=O)N1CCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-2-3-7-13-6-8(15)14(7)5-4-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyRNLSJQRDMYAVNQ-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.50
Rot. Bonds4

About 2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (PubChem CID 83254930) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
PubChem CID83254930
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCCCC1NCC(=O)N1CCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-2-3-7-13-6-8(15)14(7)5-4-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyRNLSJQRDMYAVNQ-UHFFFAOYSA-N
XLogP1.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The IUPAC name of 2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (CID 83254930) is 2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.
What is the SMILES notation for 2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The canonical SMILES for 2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is CCCC1NCC(=O)N1CCC(F)(F)F.
What is the InChIKey of 2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The InChIKey is RNLSJQRDMYAVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-2-3-7-13-6-8(15)14(7)5-4-9(10,11)12/h7,13H,2-6H2,1H3.
What are the key properties of 2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one has a molecular weight of 224.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is sourced from PubChem (CID 83254930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).