2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid

C8H7F3N2O3S — CID 63113493

IUPAC2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(NCC(F)(F)F)Nc1sccc1C(=O)O
InChIInChI=1S/C8H7F3N2O3S/c9-8(10,11)3-12-7(16)13-5-4(6(14)15)1-2-17-5/h1-2H,3H2,(H,14,15)(H2,12,13,16)
InChIKeyJDYYHJGTXWTRAV-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.13
Rot. Bonds3

About 2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid

2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 63113493) has the molecular formula C8H7F3N2O3S and a molecular weight of 268.22 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID63113493
Molecular FormulaC8H7F3N2O3S
Molecular Weight268.22 g/mol
Exact Mass268.01
IUPAC Name2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(NCC(F)(F)F)Nc1sccc1C(=O)O
InChIInChI=1S/C8H7F3N2O3S/c9-8(10,11)3-12-7(16)13-5-4(6(14)15)1-2-17-5/h1-2H,3H2,(H,14,15)(H2,12,13,16)
InChIKeyJDYYHJGTXWTRAV-UHFFFAOYSA-N
XLogP2.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11708516
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CID 28786052
CID 28786052
CID 63113498
CID 63113498
CID 63113538
CID 63113538
CID 102449714
CID 102449714
CID 16776586
CID 16776586
CID 55174566
CID 55174566
CID 55177892
CID 55177892

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid (CID 63113493) is 2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid is O=C(NCC(F)(F)F)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is JDYYHJGTXWTRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3S/c9-8(10,11)3-12-7(16)13-5-4(6(14)15)1-2-17-5/h1-2H,3H2,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid?
2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 268.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 63113493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).