2-(1-fluoroethenyl)-5-nitrothiophene

C6H4FNO2S — CID 156524733

IUPAC2-(1-fluoroethenyl)-5-nitrothiophene
SMILESC=C(F)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C6H4FNO2S/c1-4(7)5-2-3-6(11-5)8(9)10/h2-3H,1H2
InChIKeyCCADJOBSZGCFRK-UHFFFAOYSA-N
MW173.17 g/mol
LogP2.60
Rot. Bonds2

About 2-(1-fluoroethenyl)-5-nitrothiophene

2-(1-fluoroethenyl)-5-nitrothiophene (PubChem CID 156524733) has the molecular formula C6H4FNO2S and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-(1-fluoroethenyl)-5-nitrothiophene.

Molecular Properties

Compound Name2-(1-fluoroethenyl)-5-nitrothiophene
PubChem CID156524733
Molecular FormulaC6H4FNO2S
Molecular Weight173.17 g/mol
Exact Mass172.99
IUPAC Name2-(1-fluoroethenyl)-5-nitrothiophene
SMILESC=C(F)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C6H4FNO2S/c1-4(7)5-2-3-6(11-5)8(9)10/h2-3H,1H2
InChIKeyCCADJOBSZGCFRK-UHFFFAOYSA-N
XLogP2.60
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 52.60
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-(1-fluoroethenyl)-5-nitrothiophene?
The IUPAC name of 2-(1-fluoroethenyl)-5-nitrothiophene (CID 156524733) is 2-(1-fluoroethenyl)-5-nitrothiophene.
What is the SMILES notation for 2-(1-fluoroethenyl)-5-nitrothiophene?
The canonical SMILES for 2-(1-fluoroethenyl)-5-nitrothiophene is C=C(F)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 2-(1-fluoroethenyl)-5-nitrothiophene?
The InChIKey is CCADJOBSZGCFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO2S/c1-4(7)5-2-3-6(11-5)8(9)10/h2-3H,1H2.
What are the key properties of 2-(1-fluoroethenyl)-5-nitrothiophene?
2-(1-fluoroethenyl)-5-nitrothiophene has a molecular weight of 173.17 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethenyl)-5-nitrothiophene is sourced from PubChem (CID 156524733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).