ethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate

C10H9F3O2S — CID 10083437

IUPACethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate
SMILESCCOC(=O)/C=C(\c1cccs1)C(F)(F)F
InChIInChI=1S/C10H9F3O2S/c1-2-15-9(14)6-7(10(11,12)13)8-4-3-5-16-8/h3-6H,2H2,1H3/b7-6+
InChIKeyOCVGFXZUVQLENA-VOTSOKGWSA-N
MW250.24 g/mol
LogP3.26
Rot. Bonds3

About ethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate

ethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate (PubChem CID 10083437) has the molecular formula C10H9F3O2S and a molecular weight of 250.24 g/mol. Its IUPAC name is ethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate
PubChem CID10083437
Molecular FormulaC10H9F3O2S
Molecular Weight250.24 g/mol
Exact Mass250.03
IUPAC Nameethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate
SMILESCCOC(=O)/C=C(\c1cccs1)C(F)(F)F
InChIInChI=1S/C10H9F3O2S/c1-2-15-9(14)6-7(10(11,12)13)8-4-3-5-16-8/h3-6H,2H2,1H3/b7-6+
InChIKeyOCVGFXZUVQLENA-VOTSOKGWSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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dimethyl 2-((2E)-2-methyl-3-(2-thienyl)prop-2-enylidene)propane-1,3-dioate
CID 5403792
methyl (E)-5-(2-thienyl)pent-2-en-4-ynoate
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3-(Thiophen-2-yl)but-2-enoic acid
CID 10654670
methyl (2E,4E,6E)-3,5-dimethoxy-4-methyl-7-thiophen-2-ylhepta-2,4,6-trienoate
CID 44327959
Methyl 5-thiophen-2-ylpent-2-en-4-ynoate
CID 185054
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CID 162988834
Dimethyl [3-(2-thienyl)-2-propen-1-ylidene]malonate
CID 781578
ethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate
CID 5356198
Ethyl 2-cyano-3-(2-thienyl)acrylate
CID 97874

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate?
The IUPAC name of ethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate (CID 10083437) is ethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate.
What is the SMILES notation for ethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate?
The canonical SMILES for ethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate is CCOC(=O)/C=C(\c1cccs1)C(F)(F)F.
What is the InChIKey of ethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate?
The InChIKey is OCVGFXZUVQLENA-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H9F3O2S/c1-2-15-9(14)6-7(10(11,12)13)8-4-3-5-16-8/h3-6H,2H2,1H3/b7-6+.
What are the key properties of ethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate?
ethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate has a molecular weight of 250.24 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate is sourced from PubChem (CID 10083437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).