methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate

C11H8F6O3S — CID 103309446

IUPACmethyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C11H8F6O3S/c1-20-7(18)4-5-2-3-6(21-5)8(19)9(10(12,13)14)11(15,16)17/h2-3,9H,4H2,1H3
InChIKeyIGHLIPPVYSRCPT-UHFFFAOYSA-N
MW334.24 g/mol
LogP3.39
Rot. Bonds4

About methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate

methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate (PubChem CID 103309446) has the molecular formula C11H8F6O3S and a molecular weight of 334.24 g/mol. Its IUPAC name is methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate
PubChem CID103309446
Molecular FormulaC11H8F6O3S
Molecular Weight334.24 g/mol
Exact Mass334.01
IUPAC Namemethyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C11H8F6O3S/c1-20-7(18)4-5-2-3-6(21-5)8(19)9(10(12,13)14)11(15,16)17/h2-3,9H,4H2,1H3
InChIKeyIGHLIPPVYSRCPT-UHFFFAOYSA-N
XLogP3.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-butanoylthiophen-2-yl)acetate
CID 13224044
methyl 2-[5-(2,2-dimethylcyclopropanecarbonyl)thiophen-2-yl]acetate
CID 107000815
methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate
CID 82885826
methyl 2-[5-(2-methyl-2-phenylpropanoyl)thiophen-2-yl]acetate
CID 82885819
methyl 2-[5-(4-propan-2-ylbenzoyl)thiophen-2-yl]acetate
CID 82886030
methyl 2-[5-(2-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate
CID 82885519
methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate
CID 82885335
methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate
CID 82894975
methyl 2-[5-[(pentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 82894176
methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate
CID 82884808
methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate
CID 114824847
methyl 2-[5-(2-iodobenzoyl)thiophen-2-yl]acetate
CID 82885233

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate (CID 103309446) is methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate?
The InChIKey is IGHLIPPVYSRCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O3S/c1-20-7(18)4-5-2-3-6(21-5)8(19)9(10(12,13)14)11(15,16)17/h2-3,9H,4H2,1H3.
What are the key properties of methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate?
methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate has a molecular weight of 334.24 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate is sourced from PubChem (CID 103309446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).