2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate

C8H8F3NO2S — CID 150295619

IUPAC2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate
SMILESNCCOC(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NO2S/c9-8(10,11)6-2-1-5(15-6)7(13)14-4-3-12/h1-2H,3-4,12H2
InChIKeyGINDMYOOUKFYJZ-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.88
Rot. Bonds3

About 2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate

2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate (PubChem CID 150295619) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate
PubChem CID150295619
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate
SMILESNCCOC(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NO2S/c9-8(10,11)6-2-1-5(15-6)7(13)14-4-3-12/h1-2H,3-4,12H2
InChIKeyGINDMYOOUKFYJZ-UHFFFAOYSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate?
The IUPAC name of 2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate (CID 150295619) is 2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate.
What is the SMILES notation for 2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate?
The canonical SMILES for 2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate is NCCOC(=O)c1ccc(C(F)(F)F)s1.
What is the InChIKey of 2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate?
The InChIKey is GINDMYOOUKFYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c9-8(10,11)6-2-1-5(15-6)7(13)14-4-3-12/h1-2H,3-4,12H2.
What are the key properties of 2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate?
2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate has a molecular weight of 239.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 5-(trifluoromethyl)thiophene-2-carboxylate is sourced from PubChem (CID 150295619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).