N-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide

C12H10F3NO2S — CID 10493640

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide
SMILESCC(c1cc2ccccc2s1)N(O)C(=O)C(F)(F)F
InChIInChI=1S/C12H10F3NO2S/c1-7(16(18)11(17)12(13,14)15)10-6-8-4-2-3-5-9(8)19-10/h2-7,18H,1H3
InChIKeyDYWMIYWAVMISQL-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.74
Rot. Bonds2

About N-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide

N-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide (PubChem CID 10493640) has the molecular formula C12H10F3NO2S and a molecular weight of 289.28 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide
PubChem CID10493640
Molecular FormulaC12H10F3NO2S
Molecular Weight289.28 g/mol
Exact Mass289.04
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide
SMILESCC(c1cc2ccccc2s1)N(O)C(=O)C(F)(F)F
InChIInChI=1S/C12H10F3NO2S/c1-7(16(18)11(17)12(13,14)15)10-6-8-4-2-3-5-9(8)19-10/h2-7,18H,1H3
InChIKeyDYWMIYWAVMISQL-UHFFFAOYSA-N
XLogP3.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide (CID 10493640) is N-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide is CC(c1cc2ccccc2s1)N(O)C(=O)C(F)(F)F.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide?
The InChIKey is DYWMIYWAVMISQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2S/c1-7(16(18)11(17)12(13,14)15)10-6-8-4-2-3-5-9(8)19-10/h2-7,18H,1H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide?
N-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide has a molecular weight of 289.28 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-hydroxyacetamide is sourced from PubChem (CID 10493640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).