4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide

C10H12F3NO2S — CID 81340698

IUPAC4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide
SMILESO=C(CCCc1cccs1)NOCC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)7-16-14-9(15)5-1-3-8-4-2-6-17-8/h2,4,6H,1,3,5,7H2,(H,14,15)
InChIKeyWKOXHUHVLIXEFU-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.68
Rot. Bonds6

About 4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide

4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide (PubChem CID 81340698) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide.

Molecular Properties

Compound Name4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide
PubChem CID81340698
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide
SMILESO=C(CCCc1cccs1)NOCC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)7-16-14-9(15)5-1-3-8-4-2-6-17-8/h2,4,6H,1,3,5,7H2,(H,14,15)
InChIKeyWKOXHUHVLIXEFU-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide
CID 115409895
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 174398681
5-thiophen-2-ylpentanehydrazide
CID 70194284
benzyl 2-(4-thiophen-2-ylbutanoylamino)acetate
CID 7980390
4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 43051639
N-(2-hydroxy-2-methylpropyl)-4-thiophen-2-ylbutanamide
CID 65109989
2-methyl-2-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 61261493
1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711207
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
N-[dimethoxy(phenyl)methyl]-4-thiophen-2-ylbutanamide
CID 118472387
N'-methyl-5-thiophen-2-ylpentanehydrazide
CID 116846588
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide
CID 61120765

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide?
The IUPAC name of 4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide (CID 81340698) is 4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide.
What is the SMILES notation for 4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide?
The canonical SMILES for 4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide is O=C(CCCc1cccs1)NOCC(F)(F)F.
What is the InChIKey of 4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide?
The InChIKey is WKOXHUHVLIXEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c11-10(12,13)7-16-14-9(15)5-1-3-8-4-2-6-17-8/h2,4,6H,1,3,5,7H2,(H,14,15).
What are the key properties of 4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide?
4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide has a molecular weight of 267.27 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide is sourced from PubChem (CID 81340698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).