2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid

C10H12F3NO2S — CID 55062413

IUPAC2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESCCc1ccc(C(NCC(F)(F)F)C(=O)O)s1
InChIInChI=1S/C10H12F3NO2S/c1-2-6-3-4-7(17-6)8(9(15)16)14-5-10(11,12)13/h3-4,8,14H,2,5H2,1H3,(H,15,16)
InChIKeyICEOHVZVFPDXMG-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.59
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid

2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid (PubChem CID 55062413) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
PubChem CID55062413
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESCCc1ccc(C(NCC(F)(F)F)C(=O)O)s1
InChIInChI=1S/C10H12F3NO2S/c1-2-6-3-4-7(17-6)8(9(15)16)14-5-10(11,12)13/h3-4,8,14H,2,5H2,1H3,(H,15,16)
InChIKeyICEOHVZVFPDXMG-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 61345798
2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid
CID 62345224
2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid
CID 55062316
2-(5-ethylthiophen-2-yl)-2-(3-fluoroanilino)acetic acid
CID 62346648
2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 62345929
1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol
CID 61101723
1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol
CID 61100350
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 60998841
N-[1-(5-ethylthiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327120
2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene
CID 61082727
ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345226
(2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid
CID 83194211

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid (CID 55062413) is 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid is CCc1ccc(C(NCC(F)(F)F)C(=O)O)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The InChIKey is ICEOHVZVFPDXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-2-6-3-4-7(17-6)8(9(15)16)14-5-10(11,12)13/h3-4,8,14H,2,5H2,1H3,(H,15,16).
What are the key properties of 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid has a molecular weight of 267.27 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid is sourced from PubChem (CID 55062413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).