methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate

C13H11FO3S — CID 134114884

IUPACmethyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1OCc1ccccc1F
InChIInChI=1S/C13H11FO3S/c1-16-13(15)12-11(6-7-18-12)17-8-9-4-2-3-5-10(9)14/h2-7H,8H2,1H3
InChIKeyIQVNCAQZHJZINS-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.25
Rot. Bonds4

About methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate

methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate (PubChem CID 134114884) has the molecular formula C13H11FO3S and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate
PubChem CID134114884
Molecular FormulaC13H11FO3S
Molecular Weight266.29 g/mol
Exact Mass266.04
IUPAC Namemethyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1OCc1ccccc1F
InChIInChI=1S/C13H11FO3S/c1-16-13(15)12-11(6-7-18-12)17-8-9-4-2-3-5-10(9)14/h2-7H,8H2,1H3
InChIKeyIQVNCAQZHJZINS-UHFFFAOYSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate (CID 134114884) is methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate is COC(=O)c1sccc1OCc1ccccc1F.
What is the InChIKey of methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate?
The InChIKey is IQVNCAQZHJZINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3S/c1-16-13(15)12-11(6-7-18-12)17-8-9-4-2-3-5-10(9)14/h2-7H,8H2,1H3.
What are the key properties of methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate?
methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate has a molecular weight of 266.29 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate is sourced from PubChem (CID 134114884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).