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

C10H14F3N3O2 — CID 56788619

IUPAC1-[2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one
SMILESC=CCN(CC(=O)N1CCNC1=O)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-2-4-15(7-10(11,12)13)6-8(17)16-5-3-14-9(16)18/h2H,1,3-7H2,(H,14,18)
InChIKeyYSKNMPDNLQCAOO-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.59
Rot. Bonds5

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

1-[2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one (PubChem CID 56788619) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-[2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one
PubChem CID56788619
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name1-[2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one
SMILESC=CCN(CC(=O)N1CCNC1=O)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-2-4-15(7-10(11,12)13)6-8(17)16-5-3-14-9(16)18/h2H,1,3-7H2,(H,14,18)
InChIKeyYSKNMPDNLQCAOO-UHFFFAOYSA-N
XLogP0.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one (CID 56788619) is 1-[2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one is C=CCN(CC(=O)N1CCNC1=O)CC(F)(F)F.
What is the InChIKey of 1-[2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one?
The InChIKey is YSKNMPDNLQCAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-4-15(7-10(11,12)13)6-8(17)16-5-3-14-9(16)18/h2H,1,3-7H2,(H,14,18).
What are the key properties of 1-[2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one?
1-[2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one has a molecular weight of 265.23 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 56788619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).