ethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate

C16H25F3N2O4 — CID 45357880

IUPACethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate
SMILESCCOC(=O)C(C1C(=O)N(C(C)(C)C)C(=O)N1C(C)(C)C)C(F)(F)F
InChIInChI=1S/C16H25F3N2O4/c1-8-25-12(23)9(16(17,18)19)10-11(22)21(15(5,6)7)13(24)20(10)14(2,3)4/h9-10H,8H2,1-7H3
InChIKeyDVOYCEJJCPZVIJ-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.96
Rot. Bonds3

About ethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate

ethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate (PubChem CID 45357880) has the molecular formula C16H25F3N2O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is ethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate.

Molecular Properties

Compound Nameethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate
PubChem CID45357880
Molecular FormulaC16H25F3N2O4
Molecular Weight366.38 g/mol
Exact Mass366.18
IUPAC Nameethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate
SMILESCCOC(=O)C(C1C(=O)N(C(C)(C)C)C(=O)N1C(C)(C)C)C(F)(F)F
InChIInChI=1S/C16H25F3N2O4/c1-8-25-12(23)9(16(17,18)19)10-11(22)21(15(5,6)7)13(24)20(10)14(2,3)4/h9-10H,8H2,1-7H3
InChIKeyDVOYCEJJCPZVIJ-UHFFFAOYSA-N
XLogP2.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 11314570
CID 11314570
CID 45357879
CID 45357879
CID 86707726
CID 86707726
CID 11154310
CID 11154310
CID 11200909
CID 11200909
CID 11336668
CID 11336668
CID 11338010
CID 11338010
CID 29925641
CID 29925641
CID 29925649
CID 29925649
CID 126854968
CID 126854968
CID 135814156
CID 135814156
CID 162594511
CID 162594511

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate?
The IUPAC name of ethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate (CID 45357880) is ethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate.
What is the SMILES notation for ethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate?
The canonical SMILES for ethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate is CCOC(=O)C(C1C(=O)N(C(C)(C)C)C(=O)N1C(C)(C)C)C(F)(F)F.
What is the InChIKey of ethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate?
The InChIKey is DVOYCEJJCPZVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2O4/c1-8-25-12(23)9(16(17,18)19)10-11(22)21(15(5,6)7)13(24)20(10)14(2,3)4/h9-10H,8H2,1-7H3.
What are the key properties of ethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate?
ethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate has a molecular weight of 366.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-ditert-butyl-2,5-dioxoimidazolidin-4-yl)-3,3,3-trifluoropropanoate is sourced from PubChem (CID 45357880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).