5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one

C12H21F3N2O2 — CID 83264986

IUPAC5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C12H21F3N2O2/c1-4-8(2)10-11(18)17(9(3)16-10)5-6-19-7-12(13,14)15/h8-10,16H,4-7H2,1-3H3
InChIKeyPAOBSCHWIMEGBD-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.76
Rot. Bonds6

About 5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one

5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (PubChem CID 83264986) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
PubChem CID83264986
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C12H21F3N2O2/c1-4-8(2)10-11(18)17(9(3)16-10)5-6-19-7-12(13,14)15/h8-10,16H,4-7H2,1-3H3
InChIKeyPAOBSCHWIMEGBD-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-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

5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259869
3-butan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazepane-2,5-dione
CID 64884117
5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one
CID 83239751
5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253941
5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one
CID 83245523
3-butan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione
CID 64881308
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one
CID 83259137
5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
CID 83250695
5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83260297
3-butan-2-yl-7-methyl-1-(2-propoxyethyl)-1,4-diazepane-2,5-dione
CID 106459146
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylcyclopropyl)methyl]imidazolidin-4-one
CID 114115041
3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione
CID 64902153

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (CID 83264986) is 5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is CCC(C)C1NC(C)N(CCOCC(F)(F)F)C1=O.
What is the InChIKey of 5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The InChIKey is PAOBSCHWIMEGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-4-8(2)10-11(18)17(9(3)16-10)5-6-19-7-12(13,14)15/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one has a molecular weight of 282.31 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83264986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).