4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one

C13H20F6N2O3 — CID 139925679

IUPAC4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
SMILESCCC1(CC)CN(CCOC(F)(F)F)C(=O)N1CCOC(F)(F)F
InChIInChI=1S/C13H20F6N2O3/c1-3-11(4-2)9-20(5-7-23-12(14,15)16)10(22)21(11)6-8-24-13(17,18)19/h3-9H2,1-2H3
InChIKeySIVDTLLQFFLGNC-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.36
Rot. Bonds8

About 4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one

4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one (PubChem CID 139925679) has the molecular formula C13H20F6N2O3 and a molecular weight of 366.30 g/mol. Its IUPAC name is 4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
PubChem CID139925679
Molecular FormulaC13H20F6N2O3
Molecular Weight366.30 g/mol
Exact Mass366.14
IUPAC Name4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
SMILESCCC1(CC)CN(CCOC(F)(F)F)C(=O)N1CCOC(F)(F)F
InChIInChI=1S/C13H20F6N2O3/c1-3-11(4-2)9-20(5-7-23-12(14,15)16)10(22)21(11)6-8-24-13(17,18)19/h3-9H2,1-2H3
InChIKeySIVDTLLQFFLGNC-UHFFFAOYSA-N
XLogP3.36
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
The IUPAC name of 4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one (CID 139925679) is 4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one is CCC1(CC)CN(CCOC(F)(F)F)C(=O)N1CCOC(F)(F)F.
What is the InChIKey of 4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
The InChIKey is SIVDTLLQFFLGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6N2O3/c1-3-11(4-2)9-20(5-7-23-12(14,15)16)10(22)21(11)6-8-24-13(17,18)19/h3-9H2,1-2H3.
What are the key properties of 4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one has a molecular weight of 366.30 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 139925679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).