5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one

C13H16F4N2OS — CID 106291556

IUPAC5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(CC(F)(F)C(F)F)C1=O
InChIInChI=1S/C13H16F4N2OS/c1-2-3-9-11(20)19(7-13(16,17)12(14)15)10(18-9)8-4-5-21-6-8/h4-6,9-10,12,18H,2-3,7H2,1H3
InChIKeyWSAAWWBZWAENPT-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.25
Rot. Bonds6

About 5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one

5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 106291556) has the molecular formula C13H16F4N2OS and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one
PubChem CID106291556
Molecular FormulaC13H16F4N2OS
Molecular Weight324.34 g/mol
Exact Mass324.09
IUPAC Name5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(CC(F)(F)C(F)F)C1=O
InChIInChI=1S/C13H16F4N2OS/c1-2-3-9-11(20)19(7-13(16,17)12(14)15)10(18-9)8-4-5-21-6-8/h4-6,9-10,12,18H,2-3,7H2,1H3
InChIKeyWSAAWWBZWAENPT-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253987
3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242253
5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one
CID 103466816
3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83237977
3-(2-methyl-3-methylsulfanylpropyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83257048
3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83238183
3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83243416
3-[2-[ethyl(methyl)amino]ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83254460
3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83245135
5-ethyl-3-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242612
5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 113225393
5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252274

Frequently Asked Questions

What is the IUPAC name of 5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one (CID 106291556) is 5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one is CCCC1NC(c2ccsc2)N(CC(F)(F)C(F)F)C1=O.
What is the InChIKey of 5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is WSAAWWBZWAENPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2OS/c1-2-3-9-11(20)19(7-13(16,17)12(14)15)10(18-9)8-4-5-21-6-8/h4-6,9-10,12,18H,2-3,7H2,1H3.
What are the key properties of 5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one?
5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 324.34 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 106291556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).