4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran

C9H9FOS — CID 139474990

IUPAC4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran
SMILESC=CS/C(=C\C)c1coc(F)c1
InChIInChI=1S/C9H9FOS/c1-3-8(12-4-2)7-5-9(10)11-6-7/h3-6H,2H2,1H3/b8-3-
InChIKeyGXMAHCGFRALSFE-BAQGIRSFSA-N
MW184.23 g/mol
LogP3.66
Rot. Bonds3

About 4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran

4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran (PubChem CID 139474990) has the molecular formula C9H9FOS and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran.

Molecular Properties

Compound Name4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran
PubChem CID139474990
Molecular FormulaC9H9FOS
Molecular Weight184.23 g/mol
Exact Mass184.04
IUPAC Name4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran
SMILESC=CS/C(=C\C)c1coc(F)c1
InChIInChI=1S/C9H9FOS/c1-3-8(12-4-2)7-5-9(10)11-6-7/h3-6H,2H2,1H3/b8-3-
InChIKeyGXMAHCGFRALSFE-BAQGIRSFSA-N
XLogP3.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran?
The IUPAC name of 4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran (CID 139474990) is 4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran.
What is the SMILES notation for 4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran?
The canonical SMILES for 4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran is C=CS/C(=C\C)c1coc(F)c1.
What is the InChIKey of 4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran?
The InChIKey is GXMAHCGFRALSFE-BAQGIRSFSA-N. The full InChI is InChI=1S/C9H9FOS/c1-3-8(12-4-2)7-5-9(10)11-6-7/h3-6H,2H2,1H3/b8-3-.
What are the key properties of 4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran?
4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran has a molecular weight of 184.23 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-ethenylsulfanylprop-1-enyl]-2-fluorofuran is sourced from PubChem (CID 139474990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).