5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione

C10H15F3N2O3 — CID 99704415

IUPAC5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(C[C@H](O)C(F)(F)F)C1=O
InChIInChI=1S/C10H15F3N2O3/c1-3-9(4-2)7(17)15(8(18)14-9)5-6(16)10(11,12)13/h6,16H,3-5H2,1-2H3,(H,14,18)/t6-/m0/s1
InChIKeyXDMQHNIUDYGTQH-LURJTMIESA-N
MW268.23 g/mol
LogP1.02
Rot. Bonds4

About 5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione

5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione (PubChem CID 99704415) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione
PubChem CID99704415
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(C[C@H](O)C(F)(F)F)C1=O
InChIInChI=1S/C10H15F3N2O3/c1-3-9(4-2)7(17)15(8(18)14-9)5-6(16)10(11,12)13/h6,16H,3-5H2,1-2H3,(H,14,18)/t6-/m0/s1
InChIKeyXDMQHNIUDYGTQH-LURJTMIESA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione (CID 99704415) is 5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(C[C@H](O)C(F)(F)F)C1=O.
What is the InChIKey of 5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione?
The InChIKey is XDMQHNIUDYGTQH-LURJTMIESA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-3-9(4-2)7(17)15(8(18)14-9)5-6(16)10(11,12)13/h6,16H,3-5H2,1-2H3,(H,14,18)/t6-/m0/s1.
What are the key properties of 5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione has a molecular weight of 268.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99704415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).