2-(2-fluorophenyl)-5-[(E)-2-nitrobut-1-enyl]furan

C14H12FNO3 — CID 55016315

IUPAC2-(2-fluorophenyl)-5-[(E)-2-nitrobut-1-enyl]furan
SMILESCC/C(=C\c1ccc(-c2ccccc2F)o1)[N+](=O)[O-]
InChIInChI=1S/C14H12FNO3/c1-2-10(16(17)18)9-11-7-8-14(19-11)12-5-3-4-6-13(12)15/h3-9H,2H2,1H3/b10-9+
InChIKeyLDGTXPYDMXTBQX-MDZDMXLPSA-N
MW261.25 g/mol
LogP4.11
Rot. Bonds4

About 2-(2-fluorophenyl)-5-[(E)-2-nitrobut-1-enyl]furan

2-(2-fluorophenyl)-5-[(E)-2-nitrobut-1-enyl]furan (PubChem CID 55016315) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[(E)-2-nitrobut-1-enyl]furan.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[(E)-2-nitrobut-1-enyl]furan
PubChem CID55016315
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-(2-fluorophenyl)-5-[(E)-2-nitrobut-1-enyl]furan
SMILESCC/C(=C\c1ccc(-c2ccccc2F)o1)[N+](=O)[O-]
InChIInChI=1S/C14H12FNO3/c1-2-10(16(17)18)9-11-7-8-14(19-11)12-5-3-4-6-13(12)15/h3-9H,2H2,1H3/b10-9+
InChIKeyLDGTXPYDMXTBQX-MDZDMXLPSA-N
XLogP4.11
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 54.11
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-nitrobut-1-enyl]furan?
The IUPAC name of 2-(2-fluorophenyl)-5-[(E)-2-nitrobut-1-enyl]furan (CID 55016315) is 2-(2-fluorophenyl)-5-[(E)-2-nitrobut-1-enyl]furan.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[(E)-2-nitrobut-1-enyl]furan?
The canonical SMILES for 2-(2-fluorophenyl)-5-[(E)-2-nitrobut-1-enyl]furan is CC/C(=C\c1ccc(-c2ccccc2F)o1)[N+](=O)[O-].
What is the InChIKey of 2-(2-fluorophenyl)-5-[(E)-2-nitrobut-1-enyl]furan?
The InChIKey is LDGTXPYDMXTBQX-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-2-10(16(17)18)9-11-7-8-14(19-11)12-5-3-4-6-13(12)15/h3-9H,2H2,1H3/b10-9+.
What are the key properties of 2-(2-fluorophenyl)-5-[(E)-2-nitrobut-1-enyl]furan?
2-(2-fluorophenyl)-5-[(E)-2-nitrobut-1-enyl]furan has a molecular weight of 261.25 g/mol, XLogP of 4.11, 4 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-nitrobut-1-enyl]furan is sourced from PubChem (CID 55016315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).