(5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione

C14H13F4N3O3 — CID 7348475

IUPAC(5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@](N2CCOCC2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C14H13F4N3O3/c15-9-1-3-10(4-2-9)21-11(22)13(14(16,17)18,19-12(21)23)20-5-7-24-8-6-20/h1-4H,5-8H2,(H,19,23)/t13-/m0/s1
InChIKeyYCKLEINGDYRZMN-ZDUSSCGKSA-N
MW347.27 g/mol
LogP1.47
Rot. Bonds2

About (5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione

(5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 7348475) has the molecular formula C14H13F4N3O3 and a molecular weight of 347.27 g/mol. Its IUPAC name is (5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID7348475
Molecular FormulaC14H13F4N3O3
Molecular Weight347.27 g/mol
Exact Mass347.09
IUPAC Name(5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@](N2CCOCC2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C14H13F4N3O3/c15-9-1-3-10(4-2-9)21-11(22)13(14(16,17)18,19-12(21)23)20-5-7-24-8-6-20/h1-4H,5-8H2,(H,19,23)/t13-/m0/s1
InChIKeyYCKLEINGDYRZMN-ZDUSSCGKSA-N
XLogP1.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
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 (5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 7348475) is (5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione is O=C1N[C@@](N2CCOCC2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is YCKLEINGDYRZMN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13F4N3O3/c15-9-1-3-10(4-2-9)21-11(22)13(14(16,17)18,19-12(21)23)20-5-7-24-8-6-20/h1-4H,5-8H2,(H,19,23)/t13-/m0/s1.
What are the key properties of (5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione?
(5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 347.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7348475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).