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

C10H14F6N2O3 — CID 139925670

IUPAC4-methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
SMILESCC1CN(CCOC(F)(F)F)C(=O)N1CCOC(F)(F)F
InChIInChI=1S/C10H14F6N2O3/c1-7-6-17(2-4-20-9(11,12)13)8(19)18(7)3-5-21-10(14,15)16/h7H,2-6H2,1H3
InChIKeyOSTBMIZXBNHXDR-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.19
Rot. Bonds6

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

4-methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one (PubChem CID 139925670) has the molecular formula C10H14F6N2O3 and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
PubChem CID139925670
Molecular FormulaC10H14F6N2O3
Molecular Weight324.22 g/mol
Exact Mass324.09
IUPAC Name4-methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
SMILESCC1CN(CCOC(F)(F)F)C(=O)N1CCOC(F)(F)F
InChIInChI=1S/C10H14F6N2O3/c1-7-6-17(2-4-20-9(11,12)13)8(19)18(7)3-5-21-10(14,15)16/h7H,2-6H2,1H3
InChIKeyOSTBMIZXBNHXDR-UHFFFAOYSA-N
XLogP2.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
The IUPAC name of 4-methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one (CID 139925670) is 4-methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 4-methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 4-methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one is CC1CN(CCOC(F)(F)F)C(=O)N1CCOC(F)(F)F.
What is the InChIKey of 4-methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
The InChIKey is OSTBMIZXBNHXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O3/c1-7-6-17(2-4-20-9(11,12)13)8(19)18(7)3-5-21-10(14,15)16/h7H,2-6H2,1H3.
What are the key properties of 4-methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
4-methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one has a molecular weight of 324.22 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 139925670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).