2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene

C13H10FNO2S — CID 55016405

IUPAC2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene
SMILESC/C(=C\c1ccc(-c2ccccc2F)s1)[N+](=O)[O-]
InChIInChI=1S/C13H10FNO2S/c1-9(15(16)17)8-10-6-7-13(18-10)11-4-2-3-5-12(11)14/h2-8H,1H3/b9-8+
InChIKeyLHIVLSYSJRSOOL-CMDGGOBGSA-N
MW263.29 g/mol
LogP4.19
Rot. Bonds3

About 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene

2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene (PubChem CID 55016405) has the molecular formula C13H10FNO2S and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene
PubChem CID55016405
Molecular FormulaC13H10FNO2S
Molecular Weight263.29 g/mol
Exact Mass263.04
IUPAC Name2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene
SMILESC/C(=C\c1ccc(-c2ccccc2F)s1)[N+](=O)[O-]
InChIInChI=1S/C13H10FNO2S/c1-9(15(16)17)8-10-6-7-13(18-10)11-4-2-3-5-12(11)14/h2-8H,1H3/b9-8+
InChIKeyLHIVLSYSJRSOOL-CMDGGOBGSA-N
XLogP4.19
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 54.19
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-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene?
The IUPAC name of 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene (CID 55016405) is 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene?
The canonical SMILES for 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene is C/C(=C\c1ccc(-c2ccccc2F)s1)[N+](=O)[O-].
What is the InChIKey of 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene?
The InChIKey is LHIVLSYSJRSOOL-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H10FNO2S/c1-9(15(16)17)8-10-6-7-13(18-10)11-4-2-3-5-12(11)14/h2-8H,1H3/b9-8+.
What are the key properties of 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene?
2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene has a molecular weight of 263.29 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]thiophene is sourced from PubChem (CID 55016405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).