1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one

C9H15F2N3O3 — CID 107485469

IUPAC1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one
SMILESO=C(CN(CCO)CC(F)F)N1CCNC1=O
InChIInChI=1S/C9H15F2N3O3/c10-7(11)5-13(3-4-15)6-8(16)14-2-1-12-9(14)17/h7,15H,1-6H2,(H,12,17)
InChIKeyXCYHGMQOUPQZIK-UHFFFAOYSA-N
MW251.23 g/mol
LogP-0.90
Rot. Bonds6

About 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one

1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one (PubChem CID 107485469) has the molecular formula C9H15F2N3O3 and a molecular weight of 251.23 g/mol. Its IUPAC name is 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one
PubChem CID107485469
Molecular FormulaC9H15F2N3O3
Molecular Weight251.23 g/mol
Exact Mass251.11
IUPAC Name1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one
SMILESO=C(CN(CCO)CC(F)F)N1CCNC1=O
InChIInChI=1S/C9H15F2N3O3/c10-7(11)5-13(3-4-15)6-8(16)14-2-1-12-9(14)17/h7,15H,1-6H2,(H,12,17)
InChIKeyXCYHGMQOUPQZIK-UHFFFAOYSA-N
XLogP-0.90
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one (CID 107485469) is 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one is O=C(CN(CCO)CC(F)F)N1CCNC1=O.
What is the InChIKey of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one?
The InChIKey is XCYHGMQOUPQZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O3/c10-7(11)5-13(3-4-15)6-8(16)14-2-1-12-9(14)17/h7,15H,1-6H2,(H,12,17).
What are the key properties of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one?
1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one has a molecular weight of 251.23 g/mol, XLogP of -0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 107485469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).