3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

C8H11F3N2O4 — CID 82849872

IUPAC3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N(CC(O)CO)C1=O
InChIInChI=1S/C8H11F3N2O4/c1-7(8(9,10)11)5(16)13(6(17)12-7)2-4(15)3-14/h4,14-15H,2-3H2,1H3,(H,12,17)
InChIKeyUESQFIZMFWAIPI-UHFFFAOYSA-N
MW256.18 g/mol
LogP-0.79
Rot. Bonds3

About 3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 82849872) has the molecular formula C8H11F3N2O4 and a molecular weight of 256.18 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID82849872
Molecular FormulaC8H11F3N2O4
Molecular Weight256.18 g/mol
Exact Mass256.07
IUPAC Name3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N(CC(O)CO)C1=O
InChIInChI=1S/C8H11F3N2O4/c1-7(8(9,10)11)5(16)13(6(17)12-7)2-4(15)3-14/h4,14-15H,2-3H2,1H3,(H,12,17)
InChIKeyUESQFIZMFWAIPI-UHFFFAOYSA-N
XLogP-0.79
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 82849872) is 3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is CC1(C(F)(F)F)NC(=O)N(CC(O)CO)C1=O.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is UESQFIZMFWAIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O4/c1-7(8(9,10)11)5(16)13(6(17)12-7)2-4(15)3-14/h4,14-15H,2-3H2,1H3,(H,12,17).
What are the key properties of 3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 256.18 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 82849872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).