1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one

C8H15F2N3O2 — CID 106176910

IUPAC1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC(F)(F)CO
InChIInChI=1S/C8H15F2N3O2/c9-8(10,6-14)5-11-1-3-13-4-2-12-7(13)15/h11,14H,1-6H2,(H,12,15)
InChIKeyFMUHHZNLRAFJIT-UHFFFAOYSA-N
MW223.22 g/mol
LogP-0.77
Rot. Bonds6

About 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one

1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one (PubChem CID 106176910) has the molecular formula C8H15F2N3O2 and a molecular weight of 223.22 g/mol. Its IUPAC name is 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one
PubChem CID106176910
Molecular FormulaC8H15F2N3O2
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC Name1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC(F)(F)CO
InChIInChI=1S/C8H15F2N3O2/c9-8(10,6-14)5-11-1-3-13-4-2-12-7(13)15/h11,14H,1-6H2,(H,12,15)
InChIKeyFMUHHZNLRAFJIT-UHFFFAOYSA-N
XLogP-0.77
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one (CID 106176910) is 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCC(F)(F)CO.
What is the InChIKey of 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one?
The InChIKey is FMUHHZNLRAFJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O2/c9-8(10,6-14)5-11-1-3-13-4-2-12-7(13)15/h11,14H,1-6H2,(H,12,15).
What are the key properties of 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one?
1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one has a molecular weight of 223.22 g/mol, XLogP of -0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 106176910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).