(5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione

C11H17F3N2O3 — CID 97349674

IUPAC(5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione
SMILESCC(C)[C@@]1(C)NC(=O)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C11H17F3N2O3/c1-7(2)10(3)8(17)16(9(18)15-10)4-5-19-6-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyPCWCARPIHOHPOP-SNVBAGLBSA-N
MW282.26 g/mol
LogP1.53
Rot. Bonds5

About (5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione

(5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 97349674) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is (5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione
PubChem CID97349674
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name(5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione
SMILESCC(C)[C@@]1(C)NC(=O)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C11H17F3N2O3/c1-7(2)10(3)8(17)16(9(18)15-10)4-5-19-6-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyPCWCARPIHOHPOP-SNVBAGLBSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
CID 45105963
(5S)-3-propan-2-yl-7-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97017664
(5S)-3-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 97839456
(5S)-5-tert-butyl-3-[2-(cyclopropylmethoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 99839743
5-Ethyl-5-methyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 89932413
Ethane;5-methyl-3,5-di(propan-2-yl)-1-[2-(trifluoromethoxy)ethyl]imidazolidine-2,4-dione
CID 168209963
3,5,5-Tri(propan-2-yl)-1-[2-(trifluoromethoxy)ethyl]imidazolidine-2,4-dione
CID 176613625
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793431
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8957719
5-Ethyl-5-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazolidine-2,4-dione
CID 64217117
5,5-Dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione
CID 64218290
5,5-Diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazolidine-2,4-dione
CID 64218718

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione (CID 97349674) is (5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione is CC(C)[C@@]1(C)NC(=O)N(CCOCC(F)(F)F)C1=O.
What is the InChIKey of (5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is PCWCARPIHOHPOP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-7(2)10(3)8(17)16(9(18)15-10)4-5-19-6-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)/t10-/m1/s1.
What are the key properties of (5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione?
(5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 282.26 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97349674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).