6-fluoro-7-iodo-5-nitro-1-benzothiophene

C8H3FINO2S — CID 131219074

IUPAC6-fluoro-7-iodo-5-nitro-1-benzothiophene
SMILESO=[N+]([O-])c1cc2ccsc2c(I)c1F
InChIInChI=1S/C8H3FINO2S/c9-6-5(11(12)13)3-4-1-2-14-8(4)7(6)10/h1-3H
InChIKeyOZLXLZKDPQUVRO-UHFFFAOYSA-N
MW323.09 g/mol
LogP3.55
Rot. Bonds1

About 6-fluoro-7-iodo-5-nitro-1-benzothiophene

6-fluoro-7-iodo-5-nitro-1-benzothiophene (PubChem CID 131219074) has the molecular formula C8H3FINO2S and a molecular weight of 323.09 g/mol. Its IUPAC name is 6-fluoro-7-iodo-5-nitro-1-benzothiophene.

Molecular Properties

Compound Name6-fluoro-7-iodo-5-nitro-1-benzothiophene
PubChem CID131219074
Molecular FormulaC8H3FINO2S
Molecular Weight323.09 g/mol
Exact Mass322.89
IUPAC Name6-fluoro-7-iodo-5-nitro-1-benzothiophene
SMILESO=[N+]([O-])c1cc2ccsc2c(I)c1F
InChIInChI=1S/C8H3FINO2S/c9-6-5(11(12)13)3-4-1-2-14-8(4)7(6)10/h1-3H
InChIKeyOZLXLZKDPQUVRO-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

4-bromo-7-fluoro-6-nitro-1-benzothiophene
CID 131215392
3-fluoro-2,6-diiodo-4-nitrophenol
CID 118612807
4-iodo-6-nitro-1-benzothiophene-5-thiol
CID 130898869
3-nitrothiophen-2-amine
CID 3830768
7-chloro-6-nitro-1-benzothiophene-5-thiol
CID 131145101
6-bromo-5-(difluoromethyl)-7-fluoro-1-benzothiophene
CID 130987925
2-fluoro-6-nitro-1-benzothiophene-7-thiol
CID 131150658
1-fluoro-4-iodo-2-nitrobenzene
CID 14590582
5-nitrothieno[2,3-b]pyridine-6-carboxamide
CID 14612053
4-fluoro-6-methyl-7-nitro-1-benzothiophene
CID 131029545
2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 79757384
4-chloro-5-nitro-1-benzothiophene-7-thiol
CID 130955754

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-iodo-5-nitro-1-benzothiophene?
The IUPAC name of 6-fluoro-7-iodo-5-nitro-1-benzothiophene (CID 131219074) is 6-fluoro-7-iodo-5-nitro-1-benzothiophene.
What is the SMILES notation for 6-fluoro-7-iodo-5-nitro-1-benzothiophene?
The canonical SMILES for 6-fluoro-7-iodo-5-nitro-1-benzothiophene is O=[N+]([O-])c1cc2ccsc2c(I)c1F.
What is the InChIKey of 6-fluoro-7-iodo-5-nitro-1-benzothiophene?
The InChIKey is OZLXLZKDPQUVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FINO2S/c9-6-5(11(12)13)3-4-1-2-14-8(4)7(6)10/h1-3H.
What are the key properties of 6-fluoro-7-iodo-5-nitro-1-benzothiophene?
6-fluoro-7-iodo-5-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 6-fluoro-7-iodo-5-nitro-1-benzothiophene is sourced from PubChem (CID 131219074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).