methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate

C13H11FO2S — CID 114835353

IUPACmethyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(-c2ccc(F)cc2)c1C
InChIInChI=1S/C13H11FO2S/c1-8-11(13(15)16-2)7-17-12(8)9-3-5-10(14)6-4-9/h3-7H,1-2H3
InChIKeyVAFUCZCKXVOJMD-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.65
Rot. Bonds2

About methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate

methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate (PubChem CID 114835353) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate
PubChem CID114835353
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Namemethyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(-c2ccc(F)cc2)c1C
InChIInChI=1S/C13H11FO2S/c1-8-11(13(15)16-2)7-17-12(8)9-3-5-10(14)6-4-9/h3-7H,1-2H3
InChIKeyVAFUCZCKXVOJMD-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 3-methylthiophene-2,4-dicarboxylate
CID 673684
methyl 2-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 18324387
methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate
CID 142384350
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
methyl 2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 66844651
methyl 4-ethyl-5-phenylthiophene-3-carboxylate
CID 114748225
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711
methyl 3-(4-fluorophenyl)thiophene-2-carboxylate
CID 90686203
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200
methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate
CID 139911656
methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66489830
ethane;methyl 2-amino-5-chloro-4-(4-fluorophenyl)-3-methylbenzoate
CID 156797704

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate (CID 114835353) is methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate is COC(=O)c1csc(-c2ccc(F)cc2)c1C.
What is the InChIKey of methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate?
The InChIKey is VAFUCZCKXVOJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2S/c1-8-11(13(15)16-2)7-17-12(8)9-3-5-10(14)6-4-9/h3-7H,1-2H3.
What are the key properties of methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate?
methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate has a molecular weight of 250.29 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 114835353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).