ethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate

C12H11F3O2S2 — CID 126961921

IUPACethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate
SMILESC=C=CC(SC(F)(F)F)(C(=O)OCC)c1cccs1
InChIInChI=1S/C12H11F3O2S2/c1-3-7-11(10(16)17-4-2,19-12(13,14)15)9-6-5-8-18-9/h5-8H,1,4H2,2H3
InChIKeyVLEXKNPLTHZRBL-UHFFFAOYSA-N
MW308.35 g/mol
LogP4.10
Rot. Bonds5

About ethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate

ethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate (PubChem CID 126961921) has the molecular formula C12H11F3O2S2 and a molecular weight of 308.35 g/mol. Its IUPAC name is ethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate.

Molecular Properties

Compound Nameethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate
PubChem CID126961921
Molecular FormulaC12H11F3O2S2
Molecular Weight308.35 g/mol
Exact Mass308.02
IUPAC Nameethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate
SMILESC=C=CC(SC(F)(F)F)(C(=O)OCC)c1cccs1
InChIInChI=1S/C12H11F3O2S2/c1-3-7-11(10(16)17-4-2,19-12(13,14)15)9-6-5-8-18-9/h5-8H,1,4H2,2H3
InChIKeyVLEXKNPLTHZRBL-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl thiophen-2-acetate
CID 88055
Ethyl 2-thienylacetate
CID 93657
alpha-Methyl-2-thiopheneacetic acid
CID 3016922
Icosa-5,8,11,14-tetraenoic acid 2-thiophen-2-yl-ethyl ester
CID 11825838
Ethyl 2,2-difluoro-2-(thiophen-2-yl)acetate
CID 10512456
Ethyl 2-(5-methylthiophen-3-yl)acetate
CID 64985223
2-Methyl-2-(thiophen-2-yl)propanoic acid
CID 19084934
Ethyl 2-methyl-2-(thiophen-2-yl)propanoate
CID 21099804
2-Thiopheneacetic acid, cyclohexyl ester
CID 558138
2-Thiopheneacetic acid, allyl ester
CID 566080
Ethyl 2-(5-methylthiophen-2-yl)acetate
CID 11252394
Methyl 2-(thiophen-2-yl)propanoate
CID 12819459

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate?
The IUPAC name of ethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate (CID 126961921) is ethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate.
What is the SMILES notation for ethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate?
The canonical SMILES for ethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate is C=C=CC(SC(F)(F)F)(C(=O)OCC)c1cccs1.
What is the InChIKey of ethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate?
The InChIKey is VLEXKNPLTHZRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2S2/c1-3-7-11(10(16)17-4-2,19-12(13,14)15)9-6-5-8-18-9/h5-8H,1,4H2,2H3.
What are the key properties of ethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate?
ethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate has a molecular weight of 308.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-2-yl-2-(trifluoromethylsulfanyl)penta-3,4-dienoate is sourced from PubChem (CID 126961921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).