1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one

C11H17F3N2O — CID 143112859

IUPAC1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one
SMILESCC1CN(C)C(=O)N1C/C=C/C(C)C(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-8(11(12,13)14)5-4-6-16-9(2)7-15(3)10(16)17/h4-5,8-9H,6-7H2,1-3H3/b5-4+
InChIKeyFUTLSTMXDZKUHC-SNAWJCMRSA-N
MW250.26 g/mol
LogP2.50
Rot. Bonds3

About 1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one

1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one (PubChem CID 143112859) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one
PubChem CID143112859
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one
SMILESCC1CN(C)C(=O)N1C/C=C/C(C)C(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-8(11(12,13)14)5-4-6-16-9(2)7-15(3)10(16)17/h4-5,8-9H,6-7H2,1-3H3/b5-4+
InChIKeyFUTLSTMXDZKUHC-SNAWJCMRSA-N
XLogP2.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one?
The IUPAC name of 1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one (CID 143112859) is 1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one.
What is the SMILES notation for 1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one?
The canonical SMILES for 1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one is CC1CN(C)C(=O)N1C/C=C/C(C)C(F)(F)F.
What is the InChIKey of 1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one?
The InChIKey is FUTLSTMXDZKUHC-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-8(11(12,13)14)5-4-6-16-9(2)7-15(3)10(16)17/h4-5,8-9H,6-7H2,1-3H3/b5-4+.
What are the key properties of 1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one?
1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one has a molecular weight of 250.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-methylpent-2-enyl]imidazolidin-2-one is sourced from PubChem (CID 143112859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).