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

C9H14F3N3O3 — CID 103864919

IUPAC1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one
SMILESO=C(CN(CCO)CC(F)(F)F)N1CCNC1=O
InChIInChI=1S/C9H14F3N3O3/c10-9(11,12)6-14(3-4-16)5-7(17)15-2-1-13-8(15)18/h16H,1-6H2,(H,13,18)
InChIKeyOMEWUJMEKIPCBZ-UHFFFAOYSA-N
MW269.22 g/mol
LogP-0.61
Rot. Bonds5

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

1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one (PubChem CID 103864919) has the molecular formula C9H14F3N3O3 and a molecular weight of 269.22 g/mol. Its IUPAC name is 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one
PubChem CID103864919
Molecular FormulaC9H14F3N3O3
Molecular Weight269.22 g/mol
Exact Mass269.10
IUPAC Name1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one
SMILESO=C(CN(CCO)CC(F)(F)F)N1CCNC1=O
InChIInChI=1S/C9H14F3N3O3/c10-9(11,12)6-14(3-4-16)5-7(17)15-2-1-13-8(15)18/h16H,1-6H2,(H,13,18)
InChIKeyOMEWUJMEKIPCBZ-UHFFFAOYSA-N
XLogP-0.61
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one (CID 103864919) is 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one is O=C(CN(CCO)CC(F)(F)F)N1CCNC1=O.
What is the InChIKey of 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one?
The InChIKey is OMEWUJMEKIPCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O3/c10-9(11,12)6-14(3-4-16)5-7(17)15-2-1-13-8(15)18/h16H,1-6H2,(H,13,18).
What are the key properties of 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one?
1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one has a molecular weight of 269.22 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 103864919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).