(3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene

C11H11F3S — CID 142164344

IUPAC(3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene
SMILESC=C/C(=C\C=C1/CSC=C1C)C(F)(F)F
InChIInChI=1S/C11H11F3S/c1-3-10(11(12,13)14)5-4-9-7-15-6-8(9)2/h3-6H,1,7H2,2H3/b9-4+,10-5+
InChIKeyOJALYZLXNFMHCU-LUZURFALSA-N
MW232.27 g/mol
LogP4.24
Rot. Bonds2

About (3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene

(3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene (PubChem CID 142164344) has the molecular formula C11H11F3S and a molecular weight of 232.27 g/mol. Its IUPAC name is (3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene.

Molecular Properties

Compound Name(3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene
PubChem CID142164344
Molecular FormulaC11H11F3S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name(3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene
SMILESC=C/C(=C\C=C1/CSC=C1C)C(F)(F)F
InChIInChI=1S/C11H11F3S/c1-3-10(11(12,13)14)5-4-9-7-15-6-8(9)2/h3-6H,1,7H2,2H3/b9-4+,10-5+
InChIKeyOJALYZLXNFMHCU-LUZURFALSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene 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

5-[2-(Trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene
CID 166441103
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 20080613
6-butyl-4-(trifluoromethyl)-2H-thiopyran
CID 22712813
2-Propan-2-yl-5-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 69090788
7-Fluoro-7-methyl-2-(propan-2-ylsulfanylmethyl)cyclohepta-1,3,5-triene
CID 70967274
6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
CID 89233565
10-Fluoro-4,7-dimethyl-5lambda6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene
CID 90896513
4,4,5,5,5-Pentafluoro-3-methyl-1-propylsulfanylpent-2-ene
CID 90974987
1-Propylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91339078
7,7-Difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
CID 123169330
6-(2-Methylbut-1-enylsulfanyl)-5-methylidene-3-(trifluoromethyl)hepta-1,3,6-triene
CID 123359278
4-Fluoro-3-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 123406958

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene?
The IUPAC name of (3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene (CID 142164344) is (3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene.
What is the SMILES notation for (3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene?
The canonical SMILES for (3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene is C=C/C(=C\C=C1/CSC=C1C)C(F)(F)F.
What is the InChIKey of (3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene?
The InChIKey is OJALYZLXNFMHCU-LUZURFALSA-N. The full InChI is InChI=1S/C11H11F3S/c1-3-10(11(12,13)14)5-4-9-7-15-6-8(9)2/h3-6H,1,7H2,2H3/b9-4+,10-5+.
What are the key properties of (3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene?
(3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene has a molecular weight of 232.27 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene is sourced from PubChem (CID 142164344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).