3-nitro-2-(trifluoromethyl)thiophene

C5H2F3NO2S — CID 130775630

IUPAC3-nitro-2-(trifluoromethyl)thiophene
SMILESO=[N+]([O-])c1ccsc1C(F)(F)F
InChIInChI=1S/C5H2F3NO2S/c6-5(7,8)4-3(9(10)11)1-2-12-4/h1-2H
InChIKeyAWGZHPAPDJYMCI-UHFFFAOYSA-N
MW197.14 g/mol
LogP2.68
Rot. Bonds1

About 3-nitro-2-(trifluoromethyl)thiophene

3-nitro-2-(trifluoromethyl)thiophene (PubChem CID 130775630) has the molecular formula C5H2F3NO2S and a molecular weight of 197.14 g/mol. Its IUPAC name is 3-nitro-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name3-nitro-2-(trifluoromethyl)thiophene
PubChem CID130775630
Molecular FormulaC5H2F3NO2S
Molecular Weight197.14 g/mol
Exact Mass196.98
IUPAC Name3-nitro-2-(trifluoromethyl)thiophene
SMILESO=[N+]([O-])c1ccsc1C(F)(F)F
InChIInChI=1S/C5H2F3NO2S/c6-5(7,8)4-3(9(10)11)1-2-12-4/h1-2H
InChIKeyAWGZHPAPDJYMCI-UHFFFAOYSA-N
XLogP2.68
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 52.68
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 3-nitro-2-(trifluoromethyl)thiophene?
The IUPAC name of 3-nitro-2-(trifluoromethyl)thiophene (CID 130775630) is 3-nitro-2-(trifluoromethyl)thiophene.
What is the SMILES notation for 3-nitro-2-(trifluoromethyl)thiophene?
The canonical SMILES for 3-nitro-2-(trifluoromethyl)thiophene is O=[N+]([O-])c1ccsc1C(F)(F)F.
What is the InChIKey of 3-nitro-2-(trifluoromethyl)thiophene?
The InChIKey is AWGZHPAPDJYMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3NO2S/c6-5(7,8)4-3(9(10)11)1-2-12-4/h1-2H.
What are the key properties of 3-nitro-2-(trifluoromethyl)thiophene?
3-nitro-2-(trifluoromethyl)thiophene has a molecular weight of 197.14 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 130775630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).