O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine

C9H8FNOS — CID 117196258

IUPACO-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine
SMILESNOCc1csc2cc(F)ccc12
InChIInChI=1S/C9H8FNOS/c10-7-1-2-8-6(4-12-11)5-13-9(8)3-7/h1-3,5H,4,11H2
InChIKeyOBSRUUQBFFDRIO-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.43
Rot. Bonds2

About O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine

O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine (PubChem CID 117196258) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine
PubChem CID117196258
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC NameO-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine
SMILESNOCc1csc2cc(F)ccc12
InChIInChI=1S/C9H8FNOS/c10-7-1-2-8-6(4-12-11)5-13-9(8)3-7/h1-3,5H,4,11H2
InChIKeyOBSRUUQBFFDRIO-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.43
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

(6-fluoro-1-benzothiophen-3-yl)methanol
CID 71649882
N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178167
3-bromo-6-fluoro-1-benzothiophene
CID 58817610
[3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine
CID 117177990
2-(aminooxymethyl)-4-fluorophenol
CID 117276071
O-[(5-fluoro-2-iodophenyl)methyl]hydroxylamine
CID 130051922
5-fluoro-3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117174725
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-6-amine
CID 117178087
4-(6-fluoro-1-benzothiophen-3-yl)piperidine
CID 10105486
(6-amino-1-benzothiophen-3-yl)methanethiol
CID 117178186
1-[6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-one
CID 117196113
cis-(1S,2S)-2-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropan-1-amine
CID 171510308

Frequently Asked Questions

What is the IUPAC name of O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine?
The IUPAC name of O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine (CID 117196258) is O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine is NOCc1csc2cc(F)ccc12.
What is the InChIKey of O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine?
The InChIKey is OBSRUUQBFFDRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c10-7-1-2-8-6(4-12-11)5-13-9(8)3-7/h1-3,5H,4,11H2.
What are the key properties of O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine?
O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine has a molecular weight of 197.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 117196258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).