O-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine

C10H8F3NO3S — CID 117196106

IUPACO-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine
SMILESNOCC1=CS(=O)(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C10H8F3NO3S/c11-10(12,13)7-1-2-8-6(4-17-14)5-18(15,16)9(8)3-7/h1-3,5H,4,14H2
InChIKeyOMKGBATUUYCWFI-UHFFFAOYSA-N
MW279.24 g/mol
LogP1.72
Rot. Bonds2

About O-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine

O-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine (PubChem CID 117196106) has the molecular formula C10H8F3NO3S and a molecular weight of 279.24 g/mol. Its IUPAC name is O-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine
PubChem CID117196106
Molecular FormulaC10H8F3NO3S
Molecular Weight279.24 g/mol
Exact Mass279.02
IUPAC NameO-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine
SMILESNOCC1=CS(=O)(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C10H8F3NO3S/c11-10(12,13)7-1-2-8-6(4-17-14)5-18(15,16)9(8)3-7/h1-3,5H,4,14H2
InChIKeyOMKGBATUUYCWFI-UHFFFAOYSA-N
XLogP1.72
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 51.72
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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Related Compounds

3-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-1-amine
CID 117121926
1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-amine
CID 99973097
1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol
CID 117121914
1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone
CID 117121928
2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol
CID 117121915
3-[1,1-dioxo-5-(trifluoromethyl)-1-benzothiophen-3-yl]propan-1-amine
CID 117120778
1-amino-1-oxo-6-(trifluoromethyl)-1,2-benzothiazol-3-one
CID 155432053
O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315137
O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine
CID 58171465
ethyl 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]benzoate
CID 119013664
[1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanamine
CID 117119357
2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene
CID 142793986

Frequently Asked Questions

What is the IUPAC name of O-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine?
The IUPAC name of O-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine (CID 117196106) is O-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine is NOCC1=CS(=O)(=O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of O-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine?
The InChIKey is OMKGBATUUYCWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO3S/c11-10(12,13)7-1-2-8-6(4-17-14)5-18(15,16)9(8)3-7/h1-3,5H,4,14H2.
What are the key properties of O-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine?
O-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine has a molecular weight of 279.24 g/mol, XLogP of 1.72, 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-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine is sourced from PubChem (CID 117196106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).