2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one

C14H25F3N2O2 — CID 83264875

IUPAC2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C14H25F3N2O2/c1-4-5-11-13(20)19(12(18-11)8-10(2)3)6-7-21-9-14(15,16)17/h10-12,18H,4-9H2,1-3H3
InChIKeyVKEUHDBUPBKNHJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.54
Rot. Bonds8

About 2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one

2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (PubChem CID 83264875) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
PubChem CID83264875
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C14H25F3N2O2/c1-4-5-11-13(20)19(12(18-11)8-10(2)3)6-7-21-9-14(15,16)17/h10-12,18H,4-9H2,1-3H3
InChIKeyVKEUHDBUPBKNHJ-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (CID 83264875) is 2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is CCCC1NC(CC(C)C)N(CCOCC(F)(F)F)C1=O.
What is the InChIKey of 2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The InChIKey is VKEUHDBUPBKNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-4-5-11-13(20)19(12(18-11)8-10(2)3)6-7-21-9-14(15,16)17/h10-12,18H,4-9H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one has a molecular weight of 310.36 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83264875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).