7-fluoro-3-(2-nitroethenyl)-1-benzothiophene

C10H6FNO2S — CID 123628385

IUPAC7-fluoro-3-(2-nitroethenyl)-1-benzothiophene
SMILESO=[N+]([O-])C=Cc1csc2c(F)cccc12
InChIInChI=1S/C10H6FNO2S/c11-9-3-1-2-8-7(4-5-12(13)14)6-15-10(8)9/h1-6H
InChIKeyWUNVOKSOZGKHOZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.29
Rot. Bonds2

About 7-fluoro-3-(2-nitroethenyl)-1-benzothiophene

7-fluoro-3-(2-nitroethenyl)-1-benzothiophene (PubChem CID 123628385) has the molecular formula C10H6FNO2S and a molecular weight of 223.23 g/mol. Its IUPAC name is 7-fluoro-3-(2-nitroethenyl)-1-benzothiophene.

Molecular Properties

Compound Name7-fluoro-3-(2-nitroethenyl)-1-benzothiophene
PubChem CID123628385
Molecular FormulaC10H6FNO2S
Molecular Weight223.23 g/mol
Exact Mass223.01
IUPAC Name7-fluoro-3-(2-nitroethenyl)-1-benzothiophene
SMILESO=[N+]([O-])C=Cc1csc2c(F)cccc12
InChIInChI=1S/C10H6FNO2S/c11-9-3-1-2-8-7(4-5-12(13)14)6-15-10(8)9/h1-6H
InChIKeyWUNVOKSOZGKHOZ-UHFFFAOYSA-N
XLogP3.29
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(2-nitroethenyl)-1-benzothiophene?
The IUPAC name of 7-fluoro-3-(2-nitroethenyl)-1-benzothiophene (CID 123628385) is 7-fluoro-3-(2-nitroethenyl)-1-benzothiophene.
What is the SMILES notation for 7-fluoro-3-(2-nitroethenyl)-1-benzothiophene?
The canonical SMILES for 7-fluoro-3-(2-nitroethenyl)-1-benzothiophene is O=[N+]([O-])C=Cc1csc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-(2-nitroethenyl)-1-benzothiophene?
The InChIKey is WUNVOKSOZGKHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2S/c11-9-3-1-2-8-7(4-5-12(13)14)6-15-10(8)9/h1-6H.
What are the key properties of 7-fluoro-3-(2-nitroethenyl)-1-benzothiophene?
7-fluoro-3-(2-nitroethenyl)-1-benzothiophene has a molecular weight of 223.23 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(2-nitroethenyl)-1-benzothiophene is sourced from PubChem (CID 123628385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).