(2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one

C15H9FOS — CID 6534207

IUPAC(2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one
SMILESO=C1/C(=C/c2ccccc2F)Sc2ccccc21
InChIInChI=1S/C15H9FOS/c16-12-7-3-1-5-10(12)9-14-15(17)11-6-2-4-8-13(11)18-14/h1-9H/b14-9-
InChIKeyTWSSPAORZFWXAZ-ZROIWOOFSA-N
MW256.30 g/mol
LogP4.16
Rot. Bonds1

About (2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one

(2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one (PubChem CID 6534207) has the molecular formula C15H9FOS and a molecular weight of 256.30 g/mol. Its IUPAC name is (2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one
PubChem CID6534207
Molecular FormulaC15H9FOS
Molecular Weight256.30 g/mol
Exact Mass256.04
IUPAC Name(2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one
SMILESO=C1/C(=C/c2ccccc2F)Sc2ccccc21
InChIInChI=1S/C15H9FOS/c16-12-7-3-1-5-10(12)9-14-15(17)11-6-2-4-8-13(11)18-14/h1-9H/b14-9-
InChIKeyTWSSPAORZFWXAZ-ZROIWOOFSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_F(15)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one?
The IUPAC name of (2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one (CID 6534207) is (2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one.
What is the SMILES notation for (2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one?
The canonical SMILES for (2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one is O=C1/C(=C/c2ccccc2F)Sc2ccccc21.
What is the InChIKey of (2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one?
The InChIKey is TWSSPAORZFWXAZ-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H9FOS/c16-12-7-3-1-5-10(12)9-14-15(17)11-6-2-4-8-13(11)18-14/h1-9H/b14-9-.
What are the key properties of (2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one?
(2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one has a molecular weight of 256.30 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-fluorophenyl)methylidene]-1-benzothiophen-3-one is sourced from PubChem (CID 6534207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).