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

C9H14F4N2O3 — CID 139925701

IUPAC1,3-bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one
SMILESO=C1N(CCOC(F)F)CCN1CCOC(F)F
InChIInChI=1S/C9H14F4N2O3/c10-7(11)17-5-3-14-1-2-15(9(14)16)4-6-18-8(12)13/h7-8H,1-6H2
InChIKeyQXEQDAJDHKGMSZ-UHFFFAOYSA-N
MW274.21 g/mol
LogP1.20
Rot. Bonds8

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

1,3-bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one (PubChem CID 139925701) has the molecular formula C9H14F4N2O3 and a molecular weight of 274.21 g/mol. Its IUPAC name is 1,3-bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one
PubChem CID139925701
Molecular FormulaC9H14F4N2O3
Molecular Weight274.21 g/mol
Exact Mass274.09
IUPAC Name1,3-bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one
SMILESO=C1N(CCOC(F)F)CCN1CCOC(F)F
InChIInChI=1S/C9H14F4N2O3/c10-7(11)17-5-3-14-1-2-15(9(14)16)4-6-18-8(12)13/h7-8H,1-6H2
InChIKeyQXEQDAJDHKGMSZ-UHFFFAOYSA-N
XLogP1.20
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 51.20
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-(difluoromethoxy)ethyl]imidazolidin-2-one?
The IUPAC name of 1,3-bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one (CID 139925701) is 1,3-bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1,3-bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 1,3-bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one is O=C1N(CCOC(F)F)CCN1CCOC(F)F.
What is the InChIKey of 1,3-bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one?
The InChIKey is QXEQDAJDHKGMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O3/c10-7(11)17-5-3-14-1-2-15(9(14)16)4-6-18-8(12)13/h7-8H,1-6H2.
What are the key properties of 1,3-bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one?
1,3-bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one has a molecular weight of 274.21 g/mol, XLogP of 1.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(difluoromethoxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 139925701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).