(4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole

C10H13F3N2 — CID 170191493

IUPAC(4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole
SMILESC/C=c1\c(=C/CC)nc(C(F)(F)F)n1C
InChIInChI=1S/C10H13F3N2/c1-4-6-7-8(5-2)15(3)9(14-7)10(11,12)13/h5-6H,4H2,1-3H3/b7-6+,8-5+
InChIKeyFXCRUHJXWOYENS-ZCOYIIAOSA-N
MW218.22 g/mol
LogP1.43
Rot. Bonds1

About (4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole

(4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole (PubChem CID 170191493) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole
PubChem CID170191493
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name(4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole
SMILESC/C=c1\c(=C/CC)nc(C(F)(F)F)n1C
InChIInChI=1S/C10H13F3N2/c1-4-6-7-8(5-2)15(3)9(14-7)10(11,12)13/h5-6H,4H2,1-3H3/b7-6+,8-5+
InChIKeyFXCRUHJXWOYENS-ZCOYIIAOSA-N
XLogP1.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole?
The IUPAC name of (4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole (CID 170191493) is (4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole.
What is the SMILES notation for (4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole?
The canonical SMILES for (4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole is C/C=c1\c(=C/CC)nc(C(F)(F)F)n1C.
What is the InChIKey of (4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole?
The InChIKey is FXCRUHJXWOYENS-ZCOYIIAOSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-4-6-7-8(5-2)15(3)9(14-7)10(11,12)13/h5-6H,4H2,1-3H3/b7-6+,8-5+.
What are the key properties of (4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole?
(4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole has a molecular weight of 218.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 170191493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).