methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate

C14H10F2O3S — CID 82885335

IUPACmethyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H10F2O3S/c1-19-13(17)7-9-3-5-12(20-9)14(18)8-2-4-10(15)11(16)6-8/h2-6H,7H2,1H3
InChIKeyBSROWMOLUZTWBZ-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.97
Rot. Bonds4

About methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate

methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate (PubChem CID 82885335) has the molecular formula C14H10F2O3S and a molecular weight of 296.29 g/mol. Its IUPAC name is methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate
PubChem CID82885335
Molecular FormulaC14H10F2O3S
Molecular Weight296.29 g/mol
Exact Mass296.03
IUPAC Namemethyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H10F2O3S/c1-19-13(17)7-9-3-5-12(20-9)14(18)8-2-4-10(15)11(16)6-8/h2-6H,7H2,1H3
InChIKeyBSROWMOLUZTWBZ-UHFFFAOYSA-N
XLogP2.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate 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

methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate
CID 82885826
methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate
CID 82884625
methyl 2-[5-(4-propan-2-ylbenzoyl)thiophen-2-yl]acetate
CID 82886030
methyl 2-[5-(3-bromo-5-chlorobenzoyl)thiophen-2-yl]acetate
CID 107950021
methyl 3-(3,4-difluorophenyl)-3-oxopropanoate
CID 79023808
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-iodobenzoyl)thiophen-2-yl]acetate
CID 82885233
methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate
CID 82884899
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate (CID 82885335) is methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate is COC(=O)Cc1ccc(C(=O)c2ccc(F)c(F)c2)s1.
What is the InChIKey of methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate?
The InChIKey is BSROWMOLUZTWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3S/c1-19-13(17)7-9-3-5-12(20-9)14(18)8-2-4-10(15)11(16)6-8/h2-6H,7H2,1H3.
What are the key properties of methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate?
methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate has a molecular weight of 296.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate is sourced from PubChem (CID 82885335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).