methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate

C14H10BrFO3S — CID 82884625

IUPACmethyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)c2cc(F)cc(Br)c2)s1
InChIInChI=1S/C14H10BrFO3S/c1-19-13(17)7-11-2-3-12(20-11)14(18)8-4-9(15)6-10(16)5-8/h2-6H,7H2,1H3
InChIKeyDWKDUCDQCDCNEK-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.60
Rot. Bonds4

About methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate

methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate (PubChem CID 82884625) has the molecular formula C14H10BrFO3S and a molecular weight of 357.20 g/mol. Its IUPAC name is methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate
PubChem CID82884625
Molecular FormulaC14H10BrFO3S
Molecular Weight357.20 g/mol
Exact Mass355.95
IUPAC Namemethyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)c2cc(F)cc(Br)c2)s1
InChIInChI=1S/C14H10BrFO3S/c1-19-13(17)7-11-2-3-12(20-11)14(18)8-4-9(15)6-10(16)5-8/h2-6H,7H2,1H3
InChIKeyDWKDUCDQCDCNEK-UHFFFAOYSA-N
XLogP3.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-(3-bromo-5-chlorobenzoyl)thiophen-2-yl]acetate
CID 107950021
methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate
CID 82885826
methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate
CID 82885335
methyl 2-[5-(2-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate
CID 82885519
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-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate
CID 82884808
methyl 2-[5-(2-chloro-4-methylbenzoyl)thiophen-2-yl]acetate
CID 106860860
methyl 2-[5-(2-bromo-3-methylbenzoyl)thiophen-2-yl]acetate
CID 107981742
methyl 2-(5-butanoylthiophen-2-yl)acetate
CID 13224044
methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate
CID 82884896
methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate
CID 82884899

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate (CID 82884625) is methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate is COC(=O)Cc1ccc(C(=O)c2cc(F)cc(Br)c2)s1.
What is the InChIKey of methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate?
The InChIKey is DWKDUCDQCDCNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO3S/c1-19-13(17)7-11-2-3-12(20-11)14(18)8-4-9(15)6-10(16)5-8/h2-6H,7H2,1H3.
What are the key properties of methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate?
methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate has a molecular weight of 357.20 g/mol, XLogP of 3.60, 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-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate is sourced from PubChem (CID 82884625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).