methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate

C15H13FO3S — CID 82884808

IUPACmethyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)c2cccc(C)c2F)s1
InChIInChI=1S/C15H13FO3S/c1-9-4-3-5-11(14(9)16)15(18)12-7-6-10(20-12)8-13(17)19-2/h3-7H,8H2,1-2H3
InChIKeyMMXAGDNHYDTWPW-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.14
Rot. Bonds4

About methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate

methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate (PubChem CID 82884808) has the molecular formula C15H13FO3S and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate
PubChem CID82884808
Molecular FormulaC15H13FO3S
Molecular Weight292.33 g/mol
Exact Mass292.06
IUPAC Namemethyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)c2cccc(C)c2F)s1
InChIInChI=1S/C15H13FO3S/c1-9-4-3-5-11(14(9)16)15(18)12-7-6-10(20-12)8-13(17)19-2/h3-7H,8H2,1-2H3
InChIKeyMMXAGDNHYDTWPW-UHFFFAOYSA-N
XLogP3.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-(2-bromo-3-methylbenzoyl)thiophen-2-yl]acetate
CID 107981742
methyl 2-[5-(2-iodobenzoyl)thiophen-2-yl]acetate
CID 82885233
methyl 2-[5-(2-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate
CID 82885519
methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate
CID 82885826
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-(3,4-difluorobenzoyl)thiophen-2-yl]acetate
CID 82885335
(3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone
CID 81265163
methyl 2-(2-fluoro-3-methylphenyl)acetate
CID 130064946
methyl 2-(5-butanoylthiophen-2-yl)acetate
CID 13224044
methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate
CID 82884625

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate (CID 82884808) is methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate is COC(=O)Cc1ccc(C(=O)c2cccc(C)c2F)s1.
What is the InChIKey of methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate?
The InChIKey is MMXAGDNHYDTWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3S/c1-9-4-3-5-11(14(9)16)15(18)12-7-6-10(20-12)8-13(17)19-2/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate?
methyl 2-[5-(2-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate has a molecular weight of 292.33 g/mol, XLogP of 3.14, 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-fluoro-3-methylbenzoyl)thiophen-2-yl]acetate is sourced from PubChem (CID 82884808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).