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

C9H6FNOS — CID 118056526

IUPAC(NE)-N-[(5-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1cc2cc(F)ccc2s1
InChIInChI=1S/C9H6FNOS/c10-7-1-2-9-6(3-7)4-8(13-9)5-11-12/h1-5,12H/b11-5+
InChIKeyXCPVJUQTQPPJIO-VZUCSPMQSA-N
MW195.22 g/mol
LogP2.85
Rot. Bonds1

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

(NE)-N-[(5-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine (PubChem CID 118056526) has the molecular formula C9H6FNOS and a molecular weight of 195.22 g/mol. Its IUPAC name is (NE)-N-[(5-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine
PubChem CID118056526
Molecular FormulaC9H6FNOS
Molecular Weight195.22 g/mol
Exact Mass195.02
IUPAC Name(NE)-N-[(5-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1cc2cc(F)ccc2s1
InChIInChI=1S/C9H6FNOS/c10-7-1-2-9-6(3-7)4-8(13-9)5-11-12/h1-5,12H/b11-5+
InChIKeyXCPVJUQTQPPJIO-VZUCSPMQSA-N
XLogP2.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(4-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine
CID 19828096
(5-fluoro-1-benzothiophen-2-yl)methanol
CID 36995594
5-fluoro-2-isocyanato-1-benzothiophene
CID 83818252
(NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine
CID 15057456
N-[(2,4-difluorophenyl)methylidene]hydroxylamine
CID 53395027
(4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 121186953
5-fluoro-1-benzothiophene-2-sulfonyl fluoride
CID 165452836
(NE)-N-[[2-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]methylidene]hydroxylamine
CID 136862914
N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 19846311
2-(5-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117121247
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
(NE)-N-[(2-fluoro-1-benzothiophen-6-yl)methylidene]hydroxylamine
CID 118056514

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine (CID 118056526) is (NE)-N-[(5-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine is O/N=C/c1cc2cc(F)ccc2s1.
What is the InChIKey of (NE)-N-[(5-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine?
The InChIKey is XCPVJUQTQPPJIO-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H6FNOS/c10-7-1-2-9-6(3-7)4-8(13-9)5-11-12/h1-5,12H/b11-5+.
What are the key properties of (NE)-N-[(5-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine?
(NE)-N-[(5-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine has a molecular weight of 195.22 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-fluoro-1-benzothiophen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 118056526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).