ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one

C12H17F3N2O — CID 142841614

IUPACethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
SMILESC=C/C(=C\C(=C)N1CNC(=O)C1)C(F)(F)F.CC
InChIInChI=1S/C10H11F3N2O.C2H6/c1-3-8(10(11,12)13)4-7(2)15-5-9(16)14-6-15;1-2/h3-4H,1-2,5-6H2,(H,14,16);1-2H3/b8-4+;
InChIKeyQATLOBYRDVWYGC-ZFXMFRGYSA-N
MW262.27 g/mol
LogP2.59
Rot. Bonds3

About ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one

ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one (PubChem CID 142841614) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one.

Molecular Properties

Compound Nameethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
PubChem CID142841614
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Nameethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
SMILESC=C/C(=C\C(=C)N1CNC(=O)C1)C(F)(F)F.CC
InChIInChI=1S/C10H11F3N2O.C2H6/c1-3-8(10(11,12)13)4-7(2)15-5-9(16)14-6-15;1-2/h3-4H,1-2,5-6H2,(H,14,16);1-2H3/b8-4+;
InChIKeyQATLOBYRDVWYGC-ZFXMFRGYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
CID 142841608
5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
CID 142841621
1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one
CID 143088399
5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one
CID 143088408
2-[[(3E)-3-[(Z)-2-aminoethenyl]penta-1,3-dien-2-yl]amino]-1-(3,3-difluoropyrrolidin-1-yl)propan-1-one
CID 166932237

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one?
The IUPAC name of ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one (CID 142841614) is ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one.
What is the SMILES notation for ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one?
The canonical SMILES for ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one is C=C/C(=C\C(=C)N1CNC(=O)C1)C(F)(F)F.CC.
What is the InChIKey of ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one?
The InChIKey is QATLOBYRDVWYGC-ZFXMFRGYSA-N. The full InChI is InChI=1S/C10H11F3N2O.C2H6/c1-3-8(10(11,12)13)4-7(2)15-5-9(16)14-6-15;1-2/h3-4H,1-2,5-6H2,(H,14,16);1-2H3/b8-4+;.
What are the key properties of ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one?
ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one has a molecular weight of 262.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one is sourced from PubChem (CID 142841614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).