2-(4-fluorophenyl)-5-nitrothiophene

C10H6FNO2S — CID 54010932

IUPAC2-(4-fluorophenyl)-5-nitrothiophene
SMILESO=[N+]([O-])c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C10H6FNO2S/c11-8-3-1-7(2-4-8)9-5-6-10(15-9)12(13)14/h1-6H
InChIKeyKSHDLXPWMYYLSX-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.46
Rot. Bonds2

About 2-(4-fluorophenyl)-5-nitrothiophene

2-(4-fluorophenyl)-5-nitrothiophene (PubChem CID 54010932) has the molecular formula C10H6FNO2S and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-nitrothiophene.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-nitrothiophene
PubChem CID54010932
Molecular FormulaC10H6FNO2S
Molecular Weight223.23 g/mol
Exact Mass223.01
IUPAC Name2-(4-fluorophenyl)-5-nitrothiophene
SMILESO=[N+]([O-])c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C10H6FNO2S/c11-8-3-1-7(2-4-8)9-5-6-10(15-9)12(13)14/h1-6H
InChIKeyKSHDLXPWMYYLSX-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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 2-(4-fluorophenyl)-5-nitrothiophene?
The IUPAC name of 2-(4-fluorophenyl)-5-nitrothiophene (CID 54010932) is 2-(4-fluorophenyl)-5-nitrothiophene.
What is the SMILES notation for 2-(4-fluorophenyl)-5-nitrothiophene?
The canonical SMILES for 2-(4-fluorophenyl)-5-nitrothiophene is O=[N+]([O-])c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-fluorophenyl)-5-nitrothiophene?
The InChIKey is KSHDLXPWMYYLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2S/c11-8-3-1-7(2-4-8)9-5-6-10(15-9)12(13)14/h1-6H.
What are the key properties of 2-(4-fluorophenyl)-5-nitrothiophene?
2-(4-fluorophenyl)-5-nitrothiophene has a molecular weight of 223.23 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-nitrothiophene is sourced from PubChem (CID 54010932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).