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

C9H9F3N2O3S — CID 55174566

IUPAC2-(3,3,3-trifluoropropylcarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(NCCC(F)(F)F)Nc1sccc1C(=O)O
InChIInChI=1S/C9H9F3N2O3S/c10-9(11,12)2-3-13-8(17)14-6-5(7(15)16)1-4-18-6/h1,4H,2-3H2,(H,15,16)(H2,13,14,17)
InChIKeyJMUFGYCPMFBQOH-UHFFFAOYSA-N
MW282.24 g/mol
LogP2.52
Rot. Bonds4

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

2-(3,3,3-trifluoropropylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 55174566) has the molecular formula C9H9F3N2O3S and a molecular weight of 282.24 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID55174566
Molecular FormulaC9H9F3N2O3S
Molecular Weight282.24 g/mol
Exact Mass282.03
IUPAC Name2-(3,3,3-trifluoropropylcarbamoylamino)thiophene-3-carboxylic acid
SMILESO=C(NCCC(F)(F)F)Nc1sccc1C(=O)O
InChIInChI=1S/C9H9F3N2O3S/c10-9(11,12)2-3-13-8(17)14-6-5(7(15)16)1-4-18-6/h1,4H,2-3H2,(H,15,16)(H2,13,14,17)
InChIKeyJMUFGYCPMFBQOH-UHFFFAOYSA-N
XLogP2.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(3,3,3-trifluoropropylcarbamoylamino)thiophene-3-carboxylic acid (CID 55174566) is 2-(3,3,3-trifluoropropylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(3,3,3-trifluoropropylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(3,3,3-trifluoropropylcarbamoylamino)thiophene-3-carboxylic acid is O=C(NCCC(F)(F)F)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(3,3,3-trifluoropropylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is JMUFGYCPMFBQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3S/c10-9(11,12)2-3-13-8(17)14-6-5(7(15)16)1-4-18-6/h1,4H,2-3H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(3,3,3-trifluoropropylcarbamoylamino)thiophene-3-carboxylic acid?
2-(3,3,3-trifluoropropylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 282.24 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 55174566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).