4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid

C10H11F3O4S — CID 174398681

IUPAC4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CCCc1cccs1
InChIInChI=1S/C8H10O2S.C2HF3O2/c9-8(10)5-1-3-7-4-2-6-11-7;3-2(4,5)1(6)7/h2,4,6H,1,3,5H2,(H,9,10);(H,6,7)
InChIKeySNURCGMIYCMCDB-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.79
Rot. Bonds4

About 4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid

4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 174398681) has the molecular formula C10H11F3O4S and a molecular weight of 284.25 g/mol. Its IUPAC name is 4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
PubChem CID174398681
Molecular FormulaC10H11F3O4S
Molecular Weight284.25 g/mol
Exact Mass284.03
IUPAC Name4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CCCc1cccs1
InChIInChI=1S/C8H10O2S.C2HF3O2/c9-8(10)5-1-3-7-4-2-6-11-7;3-2(4,5)1(6)7/h2,4,6H,1,3,5H2,(H,9,10);(H,6,7)
InChIKeySNURCGMIYCMCDB-UHFFFAOYSA-N
XLogP2.79
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide
CID 81340698
5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 103235534
2-methyl-2-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 61261493
3-[3-[4-(2-thiophen-2-ylethoxy)phenyl]propylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 23121691
2,2-dimethyl-5-thiophen-2-ylpentanoic acid
CID 10846225
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid
CID 70912798
2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid
CID 55123769
3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
CID 60831568
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
6-thiophen-2-ylhexanamide
CID 137320292
2-(2-thiophen-2-ylethylamino)acetic acid
CID 28888414

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid (CID 174398681) is 4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)CCCc1cccs1.
What is the InChIKey of 4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is SNURCGMIYCMCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S.C2HF3O2/c9-8(10)5-1-3-7-4-2-6-11-7;3-2(4,5)1(6)7/h2,4,6H,1,3,5H2,(H,9,10);(H,6,7).
What are the key properties of 4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid?
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 284.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174398681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).