methyl 5-amino-3-fluorothiophene-2-carboxylate

C6H6FNO2S — CID 166153230

IUPACmethyl 5-amino-3-fluorothiophene-2-carboxylate
SMILESCOC(=O)c1sc(N)cc1F
InChIInChI=1S/C6H6FNO2S/c1-10-6(9)5-3(7)2-4(8)11-5/h2H,8H2,1H3
InChIKeyJOXBPCRPHVYGLN-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.26
Rot. Bonds1

About methyl 5-amino-3-fluorothiophene-2-carboxylate

methyl 5-amino-3-fluorothiophene-2-carboxylate (PubChem CID 166153230) has the molecular formula C6H6FNO2S and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl 5-amino-3-fluorothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-fluorothiophene-2-carboxylate
PubChem CID166153230
Molecular FormulaC6H6FNO2S
Molecular Weight175.18 g/mol
Exact Mass175.01
IUPAC Namemethyl 5-amino-3-fluorothiophene-2-carboxylate
SMILESCOC(=O)c1sc(N)cc1F
InChIInChI=1S/C6H6FNO2S/c1-10-6(9)5-3(7)2-4(8)11-5/h2H,8H2,1H3
InChIKeyJOXBPCRPHVYGLN-UHFFFAOYSA-N
XLogP1.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-fluorothiophene-2-carboxylate?
The IUPAC name of methyl 5-amino-3-fluorothiophene-2-carboxylate (CID 166153230) is methyl 5-amino-3-fluorothiophene-2-carboxylate.
What is the SMILES notation for methyl 5-amino-3-fluorothiophene-2-carboxylate?
The canonical SMILES for methyl 5-amino-3-fluorothiophene-2-carboxylate is COC(=O)c1sc(N)cc1F.
What is the InChIKey of methyl 5-amino-3-fluorothiophene-2-carboxylate?
The InChIKey is JOXBPCRPHVYGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2S/c1-10-6(9)5-3(7)2-4(8)11-5/h2H,8H2,1H3.
What are the key properties of methyl 5-amino-3-fluorothiophene-2-carboxylate?
methyl 5-amino-3-fluorothiophene-2-carboxylate has a molecular weight of 175.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-fluorothiophene-2-carboxylate is sourced from PubChem (CID 166153230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).