2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid

C11H7F3O3S — CID 115072390

IUPAC2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid
SMILESO=C(O)C(O)c1cc2cccc(C(F)(F)F)c2s1
InChIInChI=1S/C11H7F3O3S/c12-11(13,14)6-3-1-2-5-4-7(18-9(5)6)8(15)10(16)17/h1-4,8,15H,(H,16,17)
InChIKeyGJQIMJAYBAGBRP-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.04
Rot. Bonds2

About 2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid

2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid (PubChem CID 115072390) has the molecular formula C11H7F3O3S and a molecular weight of 276.24 g/mol. Its IUPAC name is 2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid
PubChem CID115072390
Molecular FormulaC11H7F3O3S
Molecular Weight276.24 g/mol
Exact Mass276.01
IUPAC Name2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid
SMILESO=C(O)C(O)c1cc2cccc(C(F)(F)F)c2s1
InChIInChI=1S/C11H7F3O3S/c12-11(13,14)6-3-1-2-5-4-7(18-9(5)6)8(15)10(16)17/h1-4,8,15H,(H,16,17)
InChIKeyGJQIMJAYBAGBRP-UHFFFAOYSA-N
XLogP3.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid?
The IUPAC name of 2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid (CID 115072390) is 2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid is O=C(O)C(O)c1cc2cccc(C(F)(F)F)c2s1.
What is the InChIKey of 2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid?
The InChIKey is GJQIMJAYBAGBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O3S/c12-11(13,14)6-3-1-2-5-4-7(18-9(5)6)8(15)10(16)17/h1-4,8,15H,(H,16,17).
What are the key properties of 2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid?
2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid has a molecular weight of 276.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]acetic acid is sourced from PubChem (CID 115072390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).