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

C10H11F3N2O — CID 142841608

IUPAC1-[(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
InChIInChI=1S/C10H11F3N2O/c1-3-8(10(11,12)13)4-7(2)15-5-9(16)14-6-15/h3-4H,1-2,5-6H2,(H,14,16)/b8-4+
InChIKeyOOJIYHGEZNYRRG-XBXARRHUSA-N
MW232.20 g/mol
LogP1.56
Rot. Bonds3

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

1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one (PubChem CID 142841608) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
PubChem CID142841608
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name1-[(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
InChIInChI=1S/C10H11F3N2O/c1-3-8(10(11,12)13)4-7(2)15-5-9(16)14-6-15/h3-4H,1-2,5-6H2,(H,14,16)/b8-4+
InChIKeyOOJIYHGEZNYRRG-XBXARRHUSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
CID 142841614
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
8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 98772517

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one?
The IUPAC name of 1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one (CID 142841608) is 1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one.
What is the SMILES notation for 1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one?
The canonical SMILES for 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.
What is the InChIKey of 1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one?
The InChIKey is OOJIYHGEZNYRRG-XBXARRHUSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-3-8(10(11,12)13)4-7(2)15-5-9(16)14-6-15/h3-4H,1-2,5-6H2,(H,14,16)/b8-4+.
What are the key properties of 1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one?
1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one has a molecular weight of 232.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one is sourced from PubChem (CID 142841608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).