N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine

C12H10FNO3S — CID 90062251

IUPACN-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine
SMILESON=Cc1sc2c(F)cccc2c1C1OCCO1
InChIInChI=1S/C12H10FNO3S/c13-8-3-1-2-7-10(12-16-4-5-17-12)9(6-14-15)18-11(7)8/h1-3,6,12,15H,4-5H2
InChIKeyZNEHTTFNERGALG-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.89
Rot. Bonds2

About N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine

N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine (PubChem CID 90062251) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine
PubChem CID90062251
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC NameN-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine
SMILESON=Cc1sc2c(F)cccc2c1C1OCCO1
InChIInChI=1S/C12H10FNO3S/c13-8-3-1-2-7-10(12-16-4-5-17-12)9(6-14-15)18-11(7)8/h1-3,6,12,15H,4-5H2
InChIKeyZNEHTTFNERGALG-UHFFFAOYSA-N
XLogP2.89
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine (CID 90062251) is N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine is ON=Cc1sc2c(F)cccc2c1C1OCCO1.
What is the InChIKey of N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine?
The InChIKey is ZNEHTTFNERGALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c13-8-3-1-2-7-10(12-16-4-5-17-12)9(6-14-15)18-11(7)8/h1-3,6,12,15H,4-5H2.
What are the key properties of N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine?
N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine has a molecular weight of 267.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3-dioxolan-2-yl)-7-fluoro-1-benzothiophen-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 90062251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).