O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine

C10H10F3NO3S — CID 117199259

IUPACO-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine
SMILESNOCC1CS(=O)(=O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C10H10F3NO3S/c11-10(12,13)7-2-1-3-8-9(7)6(4-17-14)5-18(8,15)16/h1-3,6H,4-5,14H2
InChIKeyVGYAQUZGQCLJJQ-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.47
Rot. Bonds2

About O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine

O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine (PubChem CID 117199259) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine
PubChem CID117199259
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC NameO-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine
SMILESNOCC1CS(=O)(=O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C10H10F3NO3S/c11-10(12,13)7-2-1-3-8-9(7)6(4-17-14)5-18(8,15)16/h1-3,6H,4-5,14H2
InChIKeyVGYAQUZGQCLJJQ-UHFFFAOYSA-N
XLogP1.47
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine?
The IUPAC name of O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine (CID 117199259) is O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine is NOCC1CS(=O)(=O)c2cccc(C(F)(F)F)c21.
What is the InChIKey of O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine?
The InChIKey is VGYAQUZGQCLJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c11-10(12,13)7-2-1-3-8-9(7)6(4-17-14)5-18(8,15)16/h1-3,6H,4-5,14H2.
What are the key properties of O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine?
O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine has a molecular weight of 281.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine is sourced from PubChem (CID 117199259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).