1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione

C7H9F3N2O2 — CID 175002614

IUPAC1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione
SMILESC[C@@H](CN1CC(=O)NC1=O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c1-4(7(8,9)10)2-12-3-5(13)11-6(12)14/h4H,2-3H2,1H3,(H,11,13,14)/t4-/m0/s1
InChIKeyWWYXMLKYYFIWIO-BYPYZUCNSA-N
MW210.15 g/mol
LogP0.74
Rot. Bonds2

About 1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione

1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione (PubChem CID 175002614) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione
PubChem CID175002614
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione
SMILESC[C@@H](CN1CC(=O)NC1=O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c1-4(7(8,9)10)2-12-3-5(13)11-6(12)14/h4H,2-3H2,1H3,(H,11,13,14)/t4-/m0/s1
InChIKeyWWYXMLKYYFIWIO-BYPYZUCNSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione (CID 175002614) is 1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione is C[C@@H](CN1CC(=O)NC1=O)C(F)(F)F.
What is the InChIKey of 1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione?
The InChIKey is WWYXMLKYYFIWIO-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-4(7(8,9)10)2-12-3-5(13)11-6(12)14/h4H,2-3H2,1H3,(H,11,13,14)/t4-/m0/s1.
What are the key properties of 1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione?
1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione has a molecular weight of 210.15 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 175002614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).