2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid

C10H11F3O3S — CID 20571159

IUPAC2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid
SMILESCCC(OC(c1cccs1)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H11F3O3S/c1-2-6(9(14)15)16-8(10(11,12)13)7-4-3-5-17-7/h3-6,8H,2H2,1H3,(H,14,15)
InChIKeyBSQOGQCUSFNUKB-UHFFFAOYSA-N
MW268.26 g/mol
LogP3.23
Rot. Bonds5

About 2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid

2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid (PubChem CID 20571159) has the molecular formula C10H11F3O3S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid
PubChem CID20571159
Molecular FormulaC10H11F3O3S
Molecular Weight268.26 g/mol
Exact Mass268.04
IUPAC Name2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid
SMILESCCC(OC(c1cccs1)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H11F3O3S/c1-2-6(9(14)15)16-8(10(11,12)13)7-4-3-5-17-7/h3-6,8H,2H2,1H3,(H,14,15)
InChIKeyBSQOGQCUSFNUKB-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid?
The IUPAC name of 2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid (CID 20571159) is 2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid.
What is the SMILES notation for 2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid?
The canonical SMILES for 2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid is CCC(OC(c1cccs1)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid?
The InChIKey is BSQOGQCUSFNUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O3S/c1-2-6(9(14)15)16-8(10(11,12)13)7-4-3-5-17-7/h3-6,8H,2H2,1H3,(H,14,15).
What are the key properties of 2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid?
2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid has a molecular weight of 268.26 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoro-1-thiophen-2-ylethoxy)butanoic acid is sourced from PubChem (CID 20571159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).