2-fluoro-5-iodo-6-nitro-1-benzothiophene

C8H3FINO2S — CID 131091462

IUPAC2-fluoro-5-iodo-6-nitro-1-benzothiophene
SMILESO=[N+]([O-])c1cc2sc(F)cc2cc1I
InChIInChI=1S/C8H3FINO2S/c9-8-2-4-1-5(10)6(11(12)13)3-7(4)14-8/h1-3H
InChIKeyHMRWAEANCTXLOA-UHFFFAOYSA-N
MW323.09 g/mol
LogP3.55
Rot. Bonds1

About 2-fluoro-5-iodo-6-nitro-1-benzothiophene

2-fluoro-5-iodo-6-nitro-1-benzothiophene (PubChem CID 131091462) has the molecular formula C8H3FINO2S and a molecular weight of 323.09 g/mol. Its IUPAC name is 2-fluoro-5-iodo-6-nitro-1-benzothiophene.

Molecular Properties

Compound Name2-fluoro-5-iodo-6-nitro-1-benzothiophene
PubChem CID131091462
Molecular FormulaC8H3FINO2S
Molecular Weight323.09 g/mol
Exact Mass322.89
IUPAC Name2-fluoro-5-iodo-6-nitro-1-benzothiophene
SMILESO=[N+]([O-])c1cc2sc(F)cc2cc1I
InChIInChI=1S/C8H3FINO2S/c9-8-2-4-1-5(10)6(11(12)13)3-7(4)14-8/h1-3H
InChIKeyHMRWAEANCTXLOA-UHFFFAOYSA-N
XLogP3.55
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-fluoro-5-iodo-4-nitrobenzene
CID 131559689
6-chloro-2-iodo-5-nitro-1-benzothiophene
CID 131001336
2-fluoro-6-nitro-1-benzothiophene-7-thiol
CID 131150658
3,6-diiodo-5-nitro-1-benzothiophene
CID 131191498
(2-chloro-5-iodo-4-nitrophenyl)methanamine
CID 171020858
(2-chloro-4-iodo-5-nitrophenyl)methanamine
CID 171020643
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
1-bromo-2-chloro-4-iodo-5-nitrobenzene
CID 50999507
2-bromo-5-nitro-1-benzothiophen-6-amine
CID 130805152
6-fluoro-7-iodo-5-nitro-1-benzothiophene
CID 131219074
2-(difluoromethyl)-6-fluoro-5-iodo-3-nitropyridine
CID 118854544
3-fluoro-2,6-diiodo-4-nitrophenol
CID 118612807

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-iodo-6-nitro-1-benzothiophene?
The IUPAC name of 2-fluoro-5-iodo-6-nitro-1-benzothiophene (CID 131091462) is 2-fluoro-5-iodo-6-nitro-1-benzothiophene.
What is the SMILES notation for 2-fluoro-5-iodo-6-nitro-1-benzothiophene?
The canonical SMILES for 2-fluoro-5-iodo-6-nitro-1-benzothiophene is O=[N+]([O-])c1cc2sc(F)cc2cc1I.
What is the InChIKey of 2-fluoro-5-iodo-6-nitro-1-benzothiophene?
The InChIKey is HMRWAEANCTXLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FINO2S/c9-8-2-4-1-5(10)6(11(12)13)3-7(4)14-8/h1-3H.
What are the key properties of 2-fluoro-5-iodo-6-nitro-1-benzothiophene?
2-fluoro-5-iodo-6-nitro-1-benzothiophene has a molecular weight of 323.09 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-iodo-6-nitro-1-benzothiophene is sourced from PubChem (CID 131091462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).