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

C9H10F3NO2S — CID 61345798

IUPAC2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESCc1ccc(C(NCC(F)(F)F)C(=O)O)s1
InChIInChI=1S/C9H10F3NO2S/c1-5-2-3-6(16-5)7(8(14)15)13-4-9(10,11)12/h2-3,7,13H,4H2,1H3,(H,14,15)
InChIKeyNLDZKYHWCSKDDG-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.33
Rot. Bonds4

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

2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid (PubChem CID 61345798) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
PubChem CID61345798
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESCc1ccc(C(NCC(F)(F)F)C(=O)O)s1
InChIInChI=1S/C9H10F3NO2S/c1-5-2-3-6(16-5)7(8(14)15)13-4-9(10,11)12/h2-3,7,13H,4H2,1H3,(H,14,15)
InChIKeyNLDZKYHWCSKDDG-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 55062413
2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 24696263
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346981
2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54962058
2,2-bis(5-methylthiophen-2-yl)acetic acid
CID 6611979
2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61347173
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 60998841
2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61346975
2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61345197
5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol
CID 115515429
(3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid
CID 130611404
2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 54977382

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The IUPAC name of 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid (CID 61345798) is 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid is Cc1ccc(C(NCC(F)(F)F)C(=O)O)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The InChIKey is NLDZKYHWCSKDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-5-2-3-6(16-5)7(8(14)15)13-4-9(10,11)12/h2-3,7,13H,4H2,1H3,(H,14,15).
What are the key properties of 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid has a molecular weight of 253.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid is sourced from PubChem (CID 61345798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).