methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate

C14H9F3O3S — CID 82885826

IUPACmethyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)c2c(F)cc(F)cc2F)s1
InChIInChI=1S/C14H9F3O3S/c1-20-12(18)6-8-2-3-11(21-8)14(19)13-9(16)4-7(15)5-10(13)17/h2-5H,6H2,1H3
InChIKeyHJYVKPWXVQGELN-UHFFFAOYSA-N
MW314.28 g/mol
LogP3.11
Rot. Bonds4

About methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate

methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate (PubChem CID 82885826) has the molecular formula C14H9F3O3S and a molecular weight of 314.28 g/mol. Its IUPAC name is methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate
PubChem CID82885826
Molecular FormulaC14H9F3O3S
Molecular Weight314.28 g/mol
Exact Mass314.02
IUPAC Namemethyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)c2c(F)cc(F)cc2F)s1
InChIInChI=1S/C14H9F3O3S/c1-20-12(18)6-8-2-3-11(21-8)14(19)13-9(16)4-7(15)5-10(13)17/h2-5H,6H2,1H3
InChIKeyHJYVKPWXVQGELN-UHFFFAOYSA-N
XLogP3.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate
CID 82885335
methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate
CID 82884625
methyl 2-[5-(2-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate
CID 82885519
methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate
CID 82884808
methyl 2-[5-[(2,3,5-trifluoroanilino)methyl]thiophen-2-yl]acetate
CID 82887799
methyl 2-[5-(2-iodobenzoyl)thiophen-2-yl]acetate
CID 82885233
methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate
CID 82884899
methyl 2-[5-(4-propan-2-ylbenzoyl)thiophen-2-yl]acetate
CID 82886030
methyl 2-[5-(2-bromo-4-methylbenzoyl)thiophen-2-yl]acetate
CID 82894244
methyl 2-[5-(2-chloro-4-methylbenzoyl)thiophen-2-yl]acetate
CID 106860860
methyl 2-(5-butanoylthiophen-2-yl)acetate
CID 13224044
methyl 2-[5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiophen-2-yl]acetate
CID 103309446

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate (CID 82885826) is methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate is COC(=O)Cc1ccc(C(=O)c2c(F)cc(F)cc2F)s1.
What is the InChIKey of methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate?
The InChIKey is HJYVKPWXVQGELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O3S/c1-20-12(18)6-8-2-3-11(21-8)14(19)13-9(16)4-7(15)5-10(13)17/h2-5H,6H2,1H3.
What are the key properties of methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate?
methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate has a molecular weight of 314.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate is sourced from PubChem (CID 82885826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).