2-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H10F3NO3S — CID 79802592

IUPAC2-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1cscc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H10F3NO3S/c1-6-3-18-4-7(6)9(17)14(2-8(15)16)5-10(11,12)13/h3-4H,2,5H2,1H3,(H,15,16)
InChIKeyHIEXOYCGUXEEPC-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.15
Rot. Bonds4

About 2-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79802592) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is 2-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79802592
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC Name2-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1cscc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H10F3NO3S/c1-6-3-18-4-7(6)9(17)14(2-8(15)16)5-10(11,12)13/h3-4H,2,5H2,1H3,(H,15,16)
InChIKeyHIEXOYCGUXEEPC-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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Related Compounds

methyl N-methyl-N-(thiophene-3-carbonyl)glycinate
CID 43407716
2-[[4-(Trifluoromethyl)thiophene-3-carbonyl]amino]propanedioic acid
CID 69475877
2-[Thiophene-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990502
2-[(5-Bromothiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990638
2-[(5-Iodothiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79685942
1-(4-Methylthiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 79803047
3,3,3-Trifluoro-2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid
CID 79803408
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 103857473
N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 103915372
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
CID 107482420
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
CID 107482828
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylthiophene-3-carboxamide
CID 107491730

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79802592) is 2-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1cscc1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is HIEXOYCGUXEEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c1-6-3-18-4-7(6)9(17)14(2-8(15)16)5-10(11,12)13/h3-4H,2,5H2,1H3,(H,15,16).
What are the key properties of 2-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-methylthiophene-3-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-[(4-methylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79802592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).