3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan

C13H11FO2S — CID 68558634

IUPAC3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan
SMILESO=S(/C=C/c1ccoc1)Cc1ccc(F)cc1
InChIInChI=1S/C13H11FO2S/c14-13-3-1-12(2-4-13)10-17(15)8-6-11-5-7-16-9-11/h1-9H,10H2/b8-6+
InChIKeyJRBUZMYHKUICHQ-SOFGYWHQSA-N
MW250.29 g/mol
LogP3.34
Rot. Bonds4

About 3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan

3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan (PubChem CID 68558634) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan.

Molecular Properties

Compound Name3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan
PubChem CID68558634
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan
SMILESO=S(/C=C/c1ccoc1)Cc1ccc(F)cc1
InChIInChI=1S/C13H11FO2S/c14-13-3-1-12(2-4-13)10-17(15)8-6-11-5-7-16-9-11/h1-9H,10H2/b8-6+
InChIKeyJRBUZMYHKUICHQ-SOFGYWHQSA-N
XLogP3.34
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan?
The IUPAC name of 3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan (CID 68558634) is 3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan.
What is the SMILES notation for 3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan?
The canonical SMILES for 3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan is O=S(/C=C/c1ccoc1)Cc1ccc(F)cc1.
What is the InChIKey of 3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan?
The InChIKey is JRBUZMYHKUICHQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H11FO2S/c14-13-3-1-12(2-4-13)10-17(15)8-6-11-5-7-16-9-11/h1-9H,10H2/b8-6+.
What are the key properties of 3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan?
3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan has a molecular weight of 250.29 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan is sourced from PubChem (CID 68558634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).