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

C13H16F4N2OS — CID 106291416

IUPAC5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2cccs2)N(CC(F)(F)C(F)F)C1=O
InChIInChI=1S/C13H16F4N2OS/c1-3-12(2)11(20)19(7-13(16,17)10(14)15)9(18-12)8-5-4-6-21-8/h4-6,9-10,18H,3,7H2,1-2H3
InChIKeyAANKUHSEBXGAQP-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.25
Rot. Bonds5

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

5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 106291416) has the molecular formula C13H16F4N2OS and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID106291416
Molecular FormulaC13H16F4N2OS
Molecular Weight324.34 g/mol
Exact Mass324.09
IUPAC Name5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2cccs2)N(CC(F)(F)C(F)F)C1=O
InChIInChI=1S/C13H16F4N2OS/c1-3-12(2)11(20)19(7-13(16,17)10(14)15)9(18-12)8-5-4-6-21-8/h4-6,9-10,18H,3,7H2,1-2H3
InChIKeyAANKUHSEBXGAQP-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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'}

Analyze 5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83238689
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83250456
3-cyclohexyl-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83242536
3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290614
3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83253324
5-ethyl-5-methyl-2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244950
3,5-diethyl-5-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83238790
5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248709
6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83249157
3,5-diethyl-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83238688
5-thiophen-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83264204
5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242684

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one (CID 106291416) is 5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one is CCC1(C)NC(c2cccs2)N(CC(F)(F)C(F)F)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is AANKUHSEBXGAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2OS/c1-3-12(2)11(20)19(7-13(16,17)10(14)15)9(18-12)8-5-4-6-21-8/h4-6,9-10,18H,3,7H2,1-2H3.
What are the key properties of 5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one?
5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 324.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 106291416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).