1-(3-fluorothiophen-2-yl)-2-iminoethanone

C6H4FNOS — CID 134382913

IUPAC1-(3-fluorothiophen-2-yl)-2-iminoethanone
SMILES[H]/N=C/C(=O)c1sccc1F
InChIInChI=1S/C6H4FNOS/c7-4-1-2-10-6(4)5(9)3-8/h1-3,8H/b8-3+
InChIKeyGJLZPWKVNKHCDW-FPYGCLRLSA-N
MW157.17 g/mol
LogP1.72
Rot. Bonds2

About 1-(3-fluorothiophen-2-yl)-2-iminoethanone

1-(3-fluorothiophen-2-yl)-2-iminoethanone (PubChem CID 134382913) has the molecular formula C6H4FNOS and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-(3-fluorothiophen-2-yl)-2-iminoethanone.

Molecular Properties

Compound Name1-(3-fluorothiophen-2-yl)-2-iminoethanone
PubChem CID134382913
Molecular FormulaC6H4FNOS
Molecular Weight157.17 g/mol
Exact Mass157.00
IUPAC Name1-(3-fluorothiophen-2-yl)-2-iminoethanone
SMILES[H]/N=C/C(=O)c1sccc1F
InChIInChI=1S/C6H4FNOS/c7-4-1-2-10-6(4)5(9)3-8/h1-3,8H/b8-3+
InChIKeyGJLZPWKVNKHCDW-FPYGCLRLSA-N
XLogP1.72
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorothiophen-2-yl)-2-iminoethanone?
The IUPAC name of 1-(3-fluorothiophen-2-yl)-2-iminoethanone (CID 134382913) is 1-(3-fluorothiophen-2-yl)-2-iminoethanone.
What is the SMILES notation for 1-(3-fluorothiophen-2-yl)-2-iminoethanone?
The canonical SMILES for 1-(3-fluorothiophen-2-yl)-2-iminoethanone is [H]/N=C/C(=O)c1sccc1F.
What is the InChIKey of 1-(3-fluorothiophen-2-yl)-2-iminoethanone?
The InChIKey is GJLZPWKVNKHCDW-FPYGCLRLSA-N. The full InChI is InChI=1S/C6H4FNOS/c7-4-1-2-10-6(4)5(9)3-8/h1-3,8H/b8-3+.
What are the key properties of 1-(3-fluorothiophen-2-yl)-2-iminoethanone?
1-(3-fluorothiophen-2-yl)-2-iminoethanone has a molecular weight of 157.17 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorothiophen-2-yl)-2-iminoethanone is sourced from PubChem (CID 134382913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).