2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate

C8H10FNO2S — CID 80694812

IUPAC2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCCF)cc1N
InChIInChI=1S/C8H10FNO2S/c1-5-6(10)4-7(13-5)8(11)12-3-2-9/h4H,2-3,10H2,1H3
InChIKeyMITZQRKPOCBELM-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.77
Rot. Bonds3

About 2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate

2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 80694812) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate
PubChem CID80694812
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCCF)cc1N
InChIInChI=1S/C8H10FNO2S/c1-5-6(10)4-7(13-5)8(11)12-3-2-9/h4H,2-3,10H2,1H3
InChIKeyMITZQRKPOCBELM-UHFFFAOYSA-N
XLogP1.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of 2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate (CID 80694812) is 2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for 2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for 2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate is Cc1sc(C(=O)OCCF)cc1N.
What is the InChIKey of 2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is MITZQRKPOCBELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-5-6(10)4-7(13-5)8(11)12-3-2-9/h4H,2-3,10H2,1H3.
What are the key properties of 2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate?
2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 4-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 80694812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).