2,3-difluoro-5-nitro-1-benzothiophene

C8H3F2NO2S — CID 131059843

IUPAC2,3-difluoro-5-nitro-1-benzothiophene
SMILESO=[N+]([O-])c1ccc2sc(F)c(F)c2c1
InChIInChI=1S/C8H3F2NO2S/c9-7-5-3-4(11(12)13)1-2-6(5)14-8(7)10/h1-3H
InChIKeyWIGVCBPCDNPHNY-UHFFFAOYSA-N
MW215.18 g/mol
LogP3.09
Rot. Bonds1

About 2,3-difluoro-5-nitro-1-benzothiophene

2,3-difluoro-5-nitro-1-benzothiophene (PubChem CID 131059843) has the molecular formula C8H3F2NO2S and a molecular weight of 215.18 g/mol. Its IUPAC name is 2,3-difluoro-5-nitro-1-benzothiophene.

Molecular Properties

Compound Name2,3-difluoro-5-nitro-1-benzothiophene
PubChem CID131059843
Molecular FormulaC8H3F2NO2S
Molecular Weight215.18 g/mol
Exact Mass214.99
IUPAC Name2,3-difluoro-5-nitro-1-benzothiophene
SMILESO=[N+]([O-])c1ccc2sc(F)c(F)c2c1
InChIInChI=1S/C8H3F2NO2S/c9-7-5-3-4(11(12)13)1-2-6(5)14-8(7)10/h1-3H
InChIKeyWIGVCBPCDNPHNY-UHFFFAOYSA-N
XLogP3.09
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 53.09
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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Related Compounds

3-bromo-5-nitro-1-benzothiophen-2-ol
CID 131030831
2-chloro-5-nitro-1-benzothiophen-3-ol
CID 130955841
2-nitrothioxanthen-9-one
CID 12754955
3-fluoro-7-nitrodibenzothiophene
CID 54152265
(5-nitro-1-benzothiophen-3-yl)methanol
CID 11790454
6-nitro-1-benzothiophene-2,3-diol
CID 130883313
2,3-difluoro-5-nitro-1H-indole
CID 100933686
2-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-nitro-1,3-benzothiazole
CID 8860931
4-(5-nitro-1-benzothiophen-3-yl)pyridine
CID 22462549
CID 70927123
CID 70927123
1-fluoro-3-nitrobenzene;sulfur trioxide
CID 167661335
6-nitro-2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-benzothiazin-4-one
CID 4293048

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-nitro-1-benzothiophene?
The IUPAC name of 2,3-difluoro-5-nitro-1-benzothiophene (CID 131059843) is 2,3-difluoro-5-nitro-1-benzothiophene.
What is the SMILES notation for 2,3-difluoro-5-nitro-1-benzothiophene?
The canonical SMILES for 2,3-difluoro-5-nitro-1-benzothiophene is O=[N+]([O-])c1ccc2sc(F)c(F)c2c1.
What is the InChIKey of 2,3-difluoro-5-nitro-1-benzothiophene?
The InChIKey is WIGVCBPCDNPHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2NO2S/c9-7-5-3-4(11(12)13)1-2-6(5)14-8(7)10/h1-3H.
What are the key properties of 2,3-difluoro-5-nitro-1-benzothiophene?
2,3-difluoro-5-nitro-1-benzothiophene has a molecular weight of 215.18 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-nitro-1-benzothiophene is sourced from PubChem (CID 131059843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).