5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione

C7H9F3N2O2 — CID 137408677

IUPAC5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(CC1NC(=O)NC1=O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c1-3(7(8,9)10)2-4-5(13)12-6(14)11-4/h3-4H,2H2,1H3,(H2,11,12,13,14)
InChIKeyDDBWIOLFNGMRMK-UHFFFAOYSA-N
MW210.15 g/mol
LogP0.78
Rot. Bonds2

About 5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione

5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 137408677) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione
PubChem CID137408677
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(CC1NC(=O)NC1=O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c1-3(7(8,9)10)2-4-5(13)12-6(14)11-4/h3-4H,2H2,1H3,(H2,11,12,13,14)
InChIKeyDDBWIOLFNGMRMK-UHFFFAOYSA-N
XLogP0.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid
CID 121449082
methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate
CID 137467945
5-propylimidazolidine-2,4-dione
CID 567619
4-methylidene-5-(2-methylpropyl)imidazolidin-2-one
CID 89369003
(5R)-5-butylimidazolidine-2,4-dione
CID 51416195
(5S)-5-(methylsulfonylmethyl)imidazolidine-2,4-dione
CID 59794401
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
5-(1-hydroxy-2-methylpropan-2-yl)imidazolidine-2,4-dione
CID 23224851
3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione
CID 5011032
(2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 130342962
5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione
CID 76595213
5-pentan-3-ylimidazolidine-2,4-dione
CID 11435187

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione (CID 137408677) is 5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione is CC(CC1NC(=O)NC1=O)C(F)(F)F.
What is the InChIKey of 5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is DDBWIOLFNGMRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-3(7(8,9)10)2-4-5(13)12-6(14)11-4/h3-4H,2H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione?
5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 210.15 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 137408677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).