2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid

C13H12FNO2S — CID 61347173

IUPAC2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid
SMILESCc1ccc(C(Nc2ccccc2F)C(=O)O)s1
InChIInChI=1S/C13H12FNO2S/c1-8-6-7-11(18-8)12(13(16)17)15-10-5-3-2-4-9(10)14/h2-7,12,15H,1H3,(H,16,17)
InChIKeyNUFIUNYYRXPPAD-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.43
Rot. Bonds4

About 2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid

2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid (PubChem CID 61347173) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid
PubChem CID61347173
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid
SMILESCc1ccc(C(Nc2ccccc2F)C(=O)O)s1
InChIInChI=1S/C13H12FNO2S/c1-8-6-7-11(18-8)12(13(16)17)15-10-5-3-2-4-9(10)14/h2-7,12,15H,1H3,(H,16,17)
InChIKeyNUFIUNYYRXPPAD-UHFFFAOYSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetamide
CID 61347940
2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid
CID 61347771
2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61346975
2-(2-bromoanilino)-2-(5-methylthiophen-2-yl)acetamide
CID 61347550
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate
CID 62347183
2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid
CID 54890559
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 61345798
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 97417595
2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62132447
2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid
CID 115527074
2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid
CID 107690254

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid?
The IUPAC name of 2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid (CID 61347173) is 2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid is Cc1ccc(C(Nc2ccccc2F)C(=O)O)s1.
What is the InChIKey of 2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid?
The InChIKey is NUFIUNYYRXPPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-8-6-7-11(18-8)12(13(16)17)15-10-5-3-2-4-9(10)14/h2-7,12,15H,1H3,(H,16,17).
What are the key properties of 2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid?
2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid has a molecular weight of 265.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid is sourced from PubChem (CID 61347173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).