2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H10F3NO3S — CID 78990123

IUPAC2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1ccsc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H10F3NO3S/c1-6-2-3-18-8(6)9(17)14(4-7(15)16)5-10(11,12)13/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyKOYCOBKPXWUVOJ-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.15
Rot. Bonds4

About 2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 78990123) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is 2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID78990123
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC Name2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1ccsc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H10F3NO3S/c1-6-2-3-18-8(6)9(17)14(4-7(15)16)5-10(11,12)13/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyKOYCOBKPXWUVOJ-UHFFFAOYSA-N
XLogP2.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 78990123) is 2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1ccsc1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is KOYCOBKPXWUVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c1-6-2-3-18-8(6)9(17)14(4-7(15)16)5-10(11,12)13/h2-3H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 281.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 78990123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).