1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole

C11H13F3N2 — CID 154953429

IUPAC1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole
SMILESC=C/C=C(\C)c1nc(C(F)(F)F)cn1CC
InChIInChI=1S/C11H13F3N2/c1-4-6-8(3)10-15-9(11(12,13)14)7-16(10)5-2/h4,6-7H,1,5H2,2-3H3/b8-6+
InChIKeyNZTZQDNRSWLPQX-SOFGYWHQSA-N
MW230.23 g/mol
LogP3.51
Rot. Bonds3

About 1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole

1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole (PubChem CID 154953429) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole
PubChem CID154953429
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole
SMILESC=C/C=C(\C)c1nc(C(F)(F)F)cn1CC
InChIInChI=1S/C11H13F3N2/c1-4-6-8(3)10-15-9(11(12,13)14)7-16(10)5-2/h4,6-7H,1,5H2,2-3H3/b8-6+
InChIKeyNZTZQDNRSWLPQX-SOFGYWHQSA-N
XLogP3.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole (CID 154953429) is 1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole is C=C/C=C(\C)c1nc(C(F)(F)F)cn1CC.
What is the InChIKey of 1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole?
The InChIKey is NZTZQDNRSWLPQX-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-4-6-8(3)10-15-9(11(12,13)14)7-16(10)5-2/h4,6-7H,1,5H2,2-3H3/b8-6+.
What are the key properties of 1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole?
1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole has a molecular weight of 230.23 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2E)-penta-2,4-dien-2-yl]-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 154953429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).