3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C14H23F3N2O2 — CID 176613619

IUPAC3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N(CC(F)(F)F)C(C(C)C)(C(C)C)C1=O
InChIInChI=1S/C14H23F3N2O2/c1-8(2)14(9(3)4)11(20)19(10(5)6)12(21)18(14)7-13(15,16)17/h8-10H,7H2,1-6H3
InChIKeyLXVOYEVGYXRTBC-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.27
Rot. Bonds4

About 3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 176613619) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID176613619
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N(CC(F)(F)F)C(C(C)C)(C(C)C)C1=O
InChIInChI=1S/C14H23F3N2O2/c1-8(2)14(9(3)4)11(20)19(10(5)6)12(21)18(14)7-13(15,16)17/h8-10H,7H2,1-6H3
InChIKeyLXVOYEVGYXRTBC-UHFFFAOYSA-N
XLogP3.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
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 3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 176613619) is 3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is CC(C)N1C(=O)N(CC(F)(F)F)C(C(C)C)(C(C)C)C1=O.
What is the InChIKey of 3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is LXVOYEVGYXRTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-8(2)14(9(3)4)11(20)19(10(5)6)12(21)18(14)7-13(15,16)17/h8-10H,7H2,1-6H3.
What are the key properties of 3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 308.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 176613619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).