1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one

C6H9F3N2O2 — CID 90427329

IUPAC1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCOC(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)13-4-3-11-2-1-10-5(11)12/h1-4H2,(H,10,12)
InChIKeyLYQMFRFORYIKJR-UHFFFAOYSA-N
MW198.14 g/mol
LogP0.55
Rot. Bonds3

About 1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one

1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one (PubChem CID 90427329) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
PubChem CID90427329
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Name1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCOC(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)13-4-3-11-2-1-10-5(11)12/h1-4H2,(H,10,12)
InChIKeyLYQMFRFORYIKJR-UHFFFAOYSA-N
XLogP0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one
CID 20511509
4-(Trifluoromethoxy)imidazolidin-2-one
CID 123243354
1-Methyl-5-(trifluoromethoxy)imidazolidin-2-one
CID 123288286
1-Methyl-4-(trifluoromethoxy)imidazolidin-2-one
CID 123405571
1-Methyl-5-(trifluoromethoxy)imidazolidine
CID 123509753
1,3-Bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
CID 139925605
4,4,5-Trifluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925607
1,3-Bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one
CID 139925701
4-Fluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidin-2-one
CID 139925737
1-(2-Methoxyethyl)-3-(trifluoromethyl)imidazolidin-2-one
CID 140334647
1,3-Dimethyl-4-(trifluoromethoxy)imidazolidin-2-one
CID 175623167
5-Hydroxy-1-(trifluoromethyl)imidazolidin-2-one
CID 175829268

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one (CID 90427329) is 1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one is O=C1NCCN1CCOC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
The InChIKey is LYQMFRFORYIKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c7-6(8,9)13-4-3-11-2-1-10-5(11)12/h1-4H2,(H,10,12).
What are the key properties of 1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one has a molecular weight of 198.14 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 90427329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).