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

C9H12F6N2O3 — CID 139925605

IUPAC1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
SMILESO=C1N(CCOC(F)(F)F)CCN1CCOC(F)(F)F
InChIInChI=1S/C9H12F6N2O3/c10-8(11,12)19-5-3-16-1-2-17(7(16)18)4-6-20-9(13,14)15/h1-6H2
InChIKeyGRPXXJAPPOHQDI-UHFFFAOYSA-N
MW310.19 g/mol
LogP1.80
Rot. Bonds6

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

1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one (PubChem CID 139925605) has the molecular formula C9H12F6N2O3 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
PubChem CID139925605
Molecular FormulaC9H12F6N2O3
Molecular Weight310.19 g/mol
Exact Mass310.08
IUPAC Name1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
SMILESO=C1N(CCOC(F)(F)F)CCN1CCOC(F)(F)F
InChIInChI=1S/C9H12F6N2O3/c10-8(11,12)19-5-3-16-1-2-17(7(16)18)4-6-20-9(13,14)15/h1-6H2
InChIKeyGRPXXJAPPOHQDI-UHFFFAOYSA-N
XLogP1.80
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
The IUPAC name of 1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one (CID 139925605) is 1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one is O=C1N(CCOC(F)(F)F)CCN1CCOC(F)(F)F.
What is the InChIKey of 1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
The InChIKey is GRPXXJAPPOHQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N2O3/c10-8(11,12)19-5-3-16-1-2-17(7(16)18)4-6-20-9(13,14)15/h1-6H2.
What are the key properties of 1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one?
1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one has a molecular weight of 310.19 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 139925605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).