3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate

C9H10F3NO2S — CID 64565744

IUPAC3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCCC(F)(F)F)cc1N
InChIInChI=1S/C9H10F3NO2S/c1-5-6(13)4-7(16-5)8(14)15-3-2-9(10,11)12/h4H,2-3,13H2,1H3
InChIKeyZTPHGUCRVNEXDB-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.75
Rot. Bonds3

About 3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate

3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 64565744) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate
PubChem CID64565744
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCCC(F)(F)F)cc1N
InChIInChI=1S/C9H10F3NO2S/c1-5-6(13)4-7(16-5)8(14)15-3-2-9(10,11)12/h4H,2-3,13H2,1H3
InChIKeyZTPHGUCRVNEXDB-UHFFFAOYSA-N
XLogP2.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of 3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate (CID 64565744) is 3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for 3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for 3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate is Cc1sc(C(=O)OCCC(F)(F)F)cc1N.
What is the InChIKey of 3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is ZTPHGUCRVNEXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-5-6(13)4-7(16-5)8(14)15-3-2-9(10,11)12/h4H,2-3,13H2,1H3.
What are the key properties of 3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate?
3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 253.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 64565744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).