ethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate

C12H12F3N3O5 — CID 664333

IUPACethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate
SMILESCCOC(=O)NC1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C12H12F3N3O5/c1-2-22-10(21)17-11(12(13,14)15)8(19)18(9(20)16-11)6-7-4-3-5-23-7/h3-5H,2,6H2,1H3,(H,16,20)(H,17,21)
InChIKeyZGPQXJOLWKWROW-UHFFFAOYSA-N
MW335.24 g/mol
LogP1.34
Rot. Bonds4

About ethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate

ethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate (PubChem CID 664333) has the molecular formula C12H12F3N3O5 and a molecular weight of 335.24 g/mol. Its IUPAC name is ethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate
PubChem CID664333
Molecular FormulaC12H12F3N3O5
Molecular Weight335.24 g/mol
Exact Mass335.07
IUPAC Nameethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate
SMILESCCOC(=O)NC1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C12H12F3N3O5/c1-2-22-10(21)17-11(12(13,14)15)8(19)18(9(20)16-11)6-7-4-3-5-23-7/h3-5H,2,6H2,1H3,(H,16,20)(H,17,21)
InChIKeyZGPQXJOLWKWROW-UHFFFAOYSA-N
XLogP1.34
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate (CID 664333) is ethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate is CCOC(=O)NC1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of ethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate?
The InChIKey is ZGPQXJOLWKWROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O5/c1-2-22-10(21)17-11(12(13,14)15)8(19)18(9(20)16-11)6-7-4-3-5-23-7/h3-5H,2,6H2,1H3,(H,16,20)(H,17,21).
What are the key properties of ethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate?
ethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate has a molecular weight of 335.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate is sourced from PubChem (CID 664333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).