5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid

C8H6F3NO4S — CID 61171375

IUPAC5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)s1)OCC(F)(F)F
InChIInChI=1S/C8H6F3NO4S/c9-8(10,11)3-16-7(15)12-5-2-1-4(17-5)6(13)14/h1-2H,3H2,(H,12,15)(H,13,14)
InChIKeyWFXMVGOOIGMQDV-UHFFFAOYSA-N
MW269.20 g/mol
LogP2.56
Rot. Bonds3

About 5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid

5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid (PubChem CID 61171375) has the molecular formula C8H6F3NO4S and a molecular weight of 269.20 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid
PubChem CID61171375
Molecular FormulaC8H6F3NO4S
Molecular Weight269.20 g/mol
Exact Mass269.00
IUPAC Name5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)s1)OCC(F)(F)F
InChIInChI=1S/C8H6F3NO4S/c9-8(10,11)3-16-7(15)12-5-2-1-4(17-5)6(13)14/h1-2H,3H2,(H,12,15)(H,13,14)
InChIKeyWFXMVGOOIGMQDV-UHFFFAOYSA-N
XLogP2.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid (CID 61171375) is 5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid is O=C(Nc1ccc(C(=O)O)s1)OCC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid?
The InChIKey is WFXMVGOOIGMQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO4S/c9-8(10,11)3-16-7(15)12-5-2-1-4(17-5)6(13)14/h1-2H,3H2,(H,12,15)(H,13,14).
What are the key properties of 5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid?
5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid has a molecular weight of 269.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 61171375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).