N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine

C10H10FNOS — CID 19846311

IUPACN-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
SMILESCC(NO)c1cc2cc(F)ccc2s1
InChIInChI=1S/C10H10FNOS/c1-6(12-13)10-5-7-4-8(11)2-3-9(7)14-10/h2-6,12-13H,1H3
InChIKeyOJSPRVRFZJRMOE-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.08
Rot. Bonds2

About N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine

N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine (PubChem CID 19846311) has the molecular formula C10H10FNOS and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
PubChem CID19846311
Molecular FormulaC10H10FNOS
Molecular Weight211.26 g/mol
Exact Mass211.05
IUPAC NameN-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
SMILESCC(NO)c1cc2cc(F)ccc2s1
InChIInChI=1S/C10H10FNOS/c1-6(12-13)10-5-7-4-8(11)2-3-9(7)14-10/h2-6,12-13H,1H3
InChIKeyOJSPRVRFZJRMOE-UHFFFAOYSA-N
XLogP3.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
2-(5-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117121247
[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282766
(5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol
CID 105078220
N-[1-(1-benzothiophen-2-yl)ethyl]-2-bromo-5-fluoroaniline
CID 107633231
1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine
CID 107893741
2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol
CID 117195329
(3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine
CID 105141971
1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
CID 105085760
1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 105087174
[1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine
CID 105337985
2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105120769

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine?
The IUPAC name of N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine (CID 19846311) is N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine.
What is the SMILES notation for N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine?
The canonical SMILES for N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine is CC(NO)c1cc2cc(F)ccc2s1.
What is the InChIKey of N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine?
The InChIKey is OJSPRVRFZJRMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNOS/c1-6(12-13)10-5-7-4-8(11)2-3-9(7)14-10/h2-6,12-13H,1H3.
What are the key properties of N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine?
N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine has a molecular weight of 211.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine is sourced from PubChem (CID 19846311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).