4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid

C10H11F3O3S — CID 63073638

IUPAC4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid
SMILESO=C(O)CC(OCCc1cccs1)C(F)(F)F
InChIInChI=1S/C10H11F3O3S/c11-10(12,13)8(6-9(14)15)16-4-3-7-2-1-5-17-7/h1-2,5,8H,3-4,6H2,(H,14,15)
InChIKeyCBVDLXFDWTYDOH-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.71
Rot. Bonds6

About 4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid

4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid (PubChem CID 63073638) has the molecular formula C10H11F3O3S and a molecular weight of 268.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid
PubChem CID63073638
Molecular FormulaC10H11F3O3S
Molecular Weight268.26 g/mol
Exact Mass268.04
IUPAC Name4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid
SMILESO=C(O)CC(OCCc1cccs1)C(F)(F)F
InChIInChI=1S/C10H11F3O3S/c11-10(12,13)8(6-9(14)15)16-4-3-7-2-1-5-17-7/h1-2,5,8H,3-4,6H2,(H,14,15)
InChIKeyCBVDLXFDWTYDOH-UHFFFAOYSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-3-(thiophen-2-ylmethyl)butanoic acid
CID 82534868
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 174398681
2-(2-thiophen-2-ylethoxy)butanehydrazide
CID 63568621
2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
CID 80751501
2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate
CID 62878139
3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid
CID 63774713
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
4-thiophen-2-yl-2-[4-(trifluoromethyl)phenoxy]butanoic acid
CID 59215026
2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid
CID 65497413
2-thiophen-2-ylethyl nitrate
CID 54344199
3-[propan-2-yl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61451665

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid (CID 63073638) is 4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid is O=C(O)CC(OCCc1cccs1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid?
The InChIKey is CBVDLXFDWTYDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O3S/c11-10(12,13)8(6-9(14)15)16-4-3-7-2-1-5-17-7/h1-2,5,8H,3-4,6H2,(H,14,15).
What are the key properties of 4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid?
4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid has a molecular weight of 268.26 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid is sourced from PubChem (CID 63073638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).